data_1nya_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 1nya _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 ' 4' ' ' ILE . . . . . . . . . . . . . 36.9 mm . . . . . 0 N--CA 1.457 -0.101 0 CA-C-O 120.927 0.394 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.75 -35.98 82.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.972 -179.34 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.0 p -60.7 -49.7 76.45 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.804 0.335 . . . . 0.0 111.37 -179.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -56.2 -48.89 75.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.682 -179.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.25 -48.21 82.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.486 -178.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.8 mt -76.73 -29.09 56.05 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.699 0.285 . . . . 0.0 111.536 -179.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.9 tmtt? -61.04 -55.06 37.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.748 0.308 . . . . 0.0 111.137 -179.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 44.4 mttp -58.63 -45.39 89.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.927 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.97 -28.14 1.52 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.179 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.419 ' CD2' ' OE1' ' A' ' 77' ' ' GLU . 68.3 t80 -72.69 -58.72 3.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.243 179.699 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.95 -14.42 62.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.909 179.2 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 8.8 mtp180 -73.73 -25.35 60.15 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.684 -0.235 . . . . 0.0 111.127 -179.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 56.3 m95 -97.45 -98.29 0.2 Allowed 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.852 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 39.71 73.94 0.11 Allowed 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 120.991 0.424 . . . . 0.0 111.517 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.407 ' CE2' ' N ' ' A' ' 32' ' ' GLU . 0.3 OUTLIER -54.39 -50.97 66.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.344 -179.023 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 18.3 p-10 -97.88 -12.17 22.41 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 111.611 0.226 . . . . 0.0 111.611 -179.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 74.6 45.72 21.74 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.575 -0.822 . . . . 0.0 112.325 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 15.6 p-10 -92.15 -10.23 39.56 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.701 0.26 . . . . 0.0 111.701 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 84.91 20.13 58.31 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.488 -0.863 . . . . 0.0 112.19 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -155.26 175.2 14.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.792 0.33 . . . . 0.0 110.678 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -112.67 116.29 29.91 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.796 179.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -116.2 172.07 7.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.447 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 21.8 ttt180 -69.69 -39.19 77.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.192 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.89 -22.59 49.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 179.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.42 -28.49 64.03 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.764 179.221 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -77.07 -36.54 55.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.975 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -64.75 -44.68 89.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.043 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.3 mttp -64.42 -37.88 89.09 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.118 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.407 ' N ' ' CE2' ' A' ' 18' ' ' PHE . 1.9 tm-20 -52.36 -63.64 1.08 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.226 179.475 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -47.0 -48.61 21.72 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.933 0.397 . . . . 0.0 111.039 179.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.32 -52.39 63.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.407 179.654 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -54.45 -26.67 32.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.883 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 28.8 mm -82.5 -53.36 11.91 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.973 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -43.25 -43.17 4.67 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 121.024 0.44 . . . . 0.0 111.218 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -60.12 -38.72 83.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.535 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -57.36 -26.22 60.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.413 -179.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -90.24 6.38 43.11 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.58 0.229 . . . . 0.0 111.45 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 50.83 69.86 1.0 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.436 -0.888 . . . . 0.0 112.24 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.6 mttm -148.3 -152.81 0.46 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 110.149 -0.315 . . . . 0.0 110.149 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.457 ' CB ' ' HB1' ' A' ' 46' ' ' ALA . 8.6 m-20 -68.8 -166.76 0.08 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.01 0.433 . . . . 0.0 111.562 -179.259 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -140.32 -60.08 0.53 Allowed 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 178.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -93.43 22.94 32.45 Favored Glycine 0 N--CA 1.451 -0.311 0 CA-C-N 114.932 -1.031 . . . . 0.0 112.232 179.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.457 ' HB1' ' CB ' ' A' ' 43' ' ' ASP . . . -71.24 -159.43 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 117.442 0.621 . . . . 0.0 110.845 179.181 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -89.24 -51.47 5.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.948 0.404 . . . . 0.0 110.388 178.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -51.79 -40.5 60.47 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.708 -179.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 43.1 t -76.41 -41.32 35.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 C-N-CA 121.05 -0.26 . . . . 0.0 110.443 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -60.75 -40.71 93.48 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 178.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 21.1 m -57.22 -58.83 6.49 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.04 178.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 50.0 tp -50.33 -58.77 4.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.317 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.81 -39.13 52.15 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.894 0.378 . . . . 0.0 110.219 179.129 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -58.98 -43.73 91.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.255 179.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.41 -49.94 56.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.055 179.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -51.15 -30.9 18.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.983 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -62.59 -51.14 58.26 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.537 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -61.13 -28.55 69.19 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.579 -0.82 . . . . 0.0 112.358 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.404 ' O ' HD21 ' A' ' 59' ' ' LEU . 0.6 OUTLIER -56.05 -41.74 75.49 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.874 0.369 . . . . 0.0 110.573 179.885 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 77.6 t80 -60.23 -40.81 91.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.425 179.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -45.27 -49.71 12.33 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.441 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -57.22 -39.26 75.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.966 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 80.2 mt -64.73 -54.37 32.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.846 179.58 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -56.0 -42.04 75.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.957 0.408 . . . . 0.0 110.903 179.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.7 -57.02 7.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.376 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -60.55 -42.15 95.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.891 -179.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.443 ' CB ' ' CD2' ' A' ' 75' ' ' LEU . . . -76.06 -25.98 56.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.974 0.416 . . . . 0.0 111.255 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 75.82 45.8 15.87 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 121.113 -0.565 . . . . 0.0 113.809 178.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 41.7 t -115.99 -78.66 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.762 0.281 . . . . 0.0 111.228 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 166.56 158.22 10.98 Favored Glycine 0 C--N 1.331 0.293 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.333 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 23.6 t -61.72 -21.93 64.93 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.695 0.283 . . . . 0.0 111.107 179.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -114.34 12.09 17.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.368 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -92.65 -165.83 38.65 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.564 -0.827 . . . . 0.0 112.271 179.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -141.4 154.14 45.44 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.049 0.452 . . . . 0.0 111.787 -179.155 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.443 ' CD2' ' CB ' ' A' ' 67' ' ' ALA . 1.3 mt -113.72 140.09 48.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.294 179.318 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 3.0 p -87.13 177.66 7.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.876 0.369 . . . . 0.0 111.1 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.419 ' OE1' ' CD2' ' A' ' 13' ' ' PHE . 2.3 tt0 -65.61 -50.83 63.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.188 179.663 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.53 -29.61 66.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.405 179.513 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.74 -43.89 62.34 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.936 0.398 . . . . 0.0 110.576 179.335 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.43 ' CE1' ' CG2' ' A' ' 84' ' ' THR . 6.9 t80 -52.63 -56.53 14.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.836 179.407 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 49.7 mt -54.02 -51.63 44.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.715 -179.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 7.6 ttt85 -56.56 -51.36 68.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.52 -179.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 16.7 m -72.3 -39.93 64.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 -179.331 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.43 ' CG2' ' CE1' ' A' ' 80' ' ' PHE . 36.7 p -61.15 -44.41 97.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.901 0.381 . . . . 0.0 110.194 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -49.71 -51.91 35.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.163 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.418 ' O ' ' N ' ' A' ' 90' ' ' GLU . 0.4 OUTLIER -60.1 -38.3 82.55 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.162 179.892 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.2 mt -58.7 -45.65 89.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.985 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.401 HG12 ' O ' ' A' ' 84' ' ' THR . 4.9 mm -73.35 -43.76 55.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.912 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -90.13 -78.33 0.37 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.889 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.418 ' N ' ' O ' ' A' ' 86' ' ' ASN . 0.3 OUTLIER -57.32 -162.12 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.897 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 66.88 147.64 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.646 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -79.96 155.53 38.85 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.794 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -52.62 -53.8 41.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.128 0.49 . . . . 0.0 110.168 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -63.08 -11.13 17.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.926 179.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 4.3 m -74.78 -43.97 51.99 Favored 'General case' 0 C--N 1.334 -0.089 0 CA-C-O 120.816 0.341 . . . . 0.0 111.074 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -68.41 -42.04 79.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.087 0.47 . . . . 0.0 110.25 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 43.7 t30 -67.25 -34.18 76.89 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.151 179.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 12.6 mmm-85 -63.7 -61.4 2.33 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.115 -0.493 . . . . 0.0 112.101 -179.42 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 10.5 t -76.75 -36.09 26.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 N-CA-C 113.008 0.744 . . . . 0.0 113.008 -177.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.05 -27.62 21.88 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 119.708 -0.797 . . . . 0.0 111.558 -178.203 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.453 ' N ' ' HD2' ' A' ' 102' ' ' PRO . . . -43.48 -57.87 4.25 Favored Glycine 0 CA--C 1.522 0.518 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.848 179.58 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . 0.453 ' HD2' ' N ' ' A' ' 101' ' ' GLY . 31.8 Cg_endo -64.58 -17.95 61.22 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.551 2.167 . . . . 0.0 112.261 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 44.4 t -81.05 -51.64 15.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 C-N-CA 120.786 -0.366 . . . . 0.0 110.452 179.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 4.4 t -69.59 -36.7 72.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.286 179.035 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.19 -58.04 9.32 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.697 179.561 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -42.91 -32.68 1.49 Allowed Glycine 0 C--N 1.333 0.409 0 C-N-CA 120.918 -0.658 . . . . 0.0 112.549 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 15.9 mt -74.57 -38.92 46.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.767 0.318 . . . . 0.0 110.853 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 46.3 t -63.7 -35.71 73.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.694 179.519 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -58.52 -42.29 95.88 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.118 179.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -79.4 -23.36 43.31 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 179.53 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 8.5 t -94.62 43.95 1.1 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.192 0.52 . . . . 0.0 111.346 -178.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -166.56 108.62 0.71 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.47 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.77 4.81 53.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.04 178.338 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 17.5 p30 -107.99 -19.58 13.46 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-O 120.801 0.334 . . . . 0.0 110.719 179.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . 65.67 61.44 0.68 Allowed 'General case' 0 C--N 1.334 -0.081 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.929 179.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 58.2 p30 -115.27 -14.0 11.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.34 179.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 81.25 8.83 86.77 Favored Glycine 0 CA--C 1.521 0.419 0 C-N-CA 120.838 -0.696 . . . . 0.0 113.077 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -125.17 164.26 20.65 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.024 0.44 . . . . 0.0 111.608 -179.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 35.8 mm -110.89 102.4 13.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.642 -179.302 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . 0.406 ' O ' ' N ' ' A' ' 123' ' ' GLU . 2.8 m-20 -85.08 158.16 20.51 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 179.332 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -47.42 -38.29 13.1 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 111.573 0.212 . . . . 0.0 111.573 -178.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -69.48 -26.44 64.56 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 110.024 -0.361 . . . . 0.0 110.024 179.284 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 120' ' ' ASN . 42.4 mt-10 -81.39 -46.29 14.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.056 178.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -57.25 -49.31 76.45 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.0 0.428 . . . . 0.0 111.071 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . 0.431 ' HA ' ' CB ' ' A' ' 138' ' ' ALA . . . -55.36 -46.2 76.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.064 -179.612 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -54.48 -32.82 58.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.613 -179.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' TRP . . . . . 0.41 ' NE1' HD13 ' A' ' 131' ' ' LEU . 14.2 t90 -82.94 -43.72 16.14 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 111.813 0.301 . . . . 0.0 111.813 -179.047 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.37 -40.55 91.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.087 -179.327 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' THR . . . . . 0.403 ' HA ' ' O ' ' A' ' 133' ' ' MET . 0.2 OUTLIER -72.52 -27.08 62.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.058 0.456 . . . . 0.0 109.918 179.05 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -65.53 -37.93 88.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.732 179.362 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.41 HD13 ' NE1' ' A' ' 127' ' ' TRP . 31.9 mt -85.49 -6.28 59.21 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 112.215 0.45 . . . . 0.0 112.215 -178.385 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 112.11 26.88 4.18 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.213 -0.994 . . . . 0.0 113.769 179.015 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' MET . . . . . 0.403 ' O ' ' HA ' ' A' ' 129' ' ' THR . 60.6 mmm -102.62 153.09 20.44 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 117.074 0.437 . . . . 0.0 110.054 179.118 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.04 164.28 23.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.761 0.315 . . . . 0.0 111.204 -179.396 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -65.38 -26.34 67.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.381 -179.357 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -80.38 -24.47 39.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.199 179.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -72.32 -41.22 66.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.625 -179.23 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . 0.431 ' CB ' ' HA ' ' A' ' 125' ' ' ALA . . . -59.32 -55.56 33.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.967 0.413 . . . . 0.0 110.923 -179.762 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -49.32 -41.92 40.01 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.52 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.34 -48.76 54.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.99 -179.3 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -63.5 -36.64 84.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.887 0.375 . . . . 0.0 111.733 -179.031 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 73.9 t80 -54.75 -60.16 3.73 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.01 179.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -55.07 -35.73 64.85 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.908 -0.587 . . . . 0.0 112.152 -178.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.75 -30.64 70.91 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 111.811 0.3 . . . . 0.0 111.811 -179.266 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . 0.444 ' O ' ' N ' ' A' ' 147' ' ' THR . 19.7 t -83.82 -35.45 11.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 -178.333 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -61.5 78.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.125 0.488 . . . . 0.0 111.493 -179.078 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 147' ' ' THR . . . . . 0.444 ' N ' ' O ' ' A' ' 145' ' ' VAL . 65.0 m -56.08 -33.32 64.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.53 -0.759 . . . . 0.0 112.524 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -99.05 7.51 45.86 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.467 0.543 . . . . 0.0 112.467 -178.462 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 41.38 41.2 2.94 Favored Glycine 0 C--N 1.335 0.481 0 C-N-CA 120.919 -0.657 . . . . 0.0 113.027 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 42.8 p30 -98.41 -7.61 28.38 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 111.799 0.296 . . . . 0.0 111.799 -179.376 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 90.43 2.78 72.85 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.485 -0.864 . . . . 0.0 113.62 179.126 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -132.95 134.48 44.57 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 117.548 0.674 . . . . 0.0 110.824 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 12.7 mt -101.97 104.33 15.01 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.553 179.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.26 162.09 15.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.387 -179.536 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -41.63 -40.72 2.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.552 -179.821 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.4 -60.85 3.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.07 0.462 . . . . 0.0 111.049 179.723 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -64.46 -14.09 55.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.89 -0.596 . . . . 0.0 112.253 -179.145 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 10.1 mt -71.29 -60.1 2.41 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.943 0.401 . . . . 0.0 110.957 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.005 -179.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.413 HG23 ' NH1' ' A' ' 8' ' ' ARG . 42.1 mt . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.81 0.338 . . . . 0.0 111.453 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.431 ' HA ' ' NE ' ' A' ' 8' ' ' ARG . . . -61.85 -40.47 95.46 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.203 -0.453 . . . . 0.0 112.211 -179.083 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.69 -49.34 77.89 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.984 0.421 . . . . 0.0 111.149 -179.674 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -51.97 -54.28 31.55 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.94 -179.372 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.431 ' NE ' ' HA ' ' A' ' 5' ' ' ALA . 0.4 OUTLIER -63.06 -43.73 97.78 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.23 0.456 . . . . 0.0 112.23 -178.606 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 85.4 mt -76.35 -36.6 58.13 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 -178.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.99 -55.61 32.67 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.785 0.326 . . . . 0.0 111.056 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.409 ' O ' ' N ' ' A' ' 15' ' ' ARG . 32.2 mtmt -57.69 -45.41 85.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.136 -179.715 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -48.11 -31.02 5.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.482 -179.774 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -73.31 -60.86 2.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.969 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -68.36 -17.84 64.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.84 179.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.409 ' N ' ' O ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -73.41 -16.64 61.32 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.665 0.269 . . . . 0.0 111.113 179.915 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 41.9 m0 -103.16 -98.38 0.3 Allowed 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 116.68 -0.236 . . . . 0.0 110.992 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 40.84 78.23 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 120.813 0.34 . . . . 0.0 111.879 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.409 ' CZ ' ' HA ' ' A' ' 32' ' ' GLU . 0.2 OUTLIER -55.93 -50.35 70.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.825 -179.106 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.402 ' OD1' ' N ' ' A' ' 19' ' ' ASP . 11.9 p-10 -96.2 -13.99 23.06 Favored 'General case' 0 CA--C 1.53 0.208 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 -179.221 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 78.95 42.53 12.37 Favored Glycine 0 CA--C 1.518 0.27 0 C-N-CA 120.449 -0.881 . . . . 0.0 112.678 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 39.1 p-10 -93.82 -8.18 41.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.859 0.33 . . . . 0.0 111.664 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 81.42 22.15 60.96 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.461 -0.876 . . . . 0.0 112.14 -179.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -156.2 171.82 19.53 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.6 0.238 . . . . 0.0 110.496 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.414 ' HB3' ' CD1' ' A' ' 75' ' ' LEU . 0.9 OUTLIER -110.89 121.07 44.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.783 0.325 . . . . 0.0 110.512 179.615 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -120.42 172.87 7.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 7.0 ptt-85 -70.53 -35.36 73.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.843 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.72 -21.55 64.6 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.134 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -69.11 -29.98 68.17 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.894 0.378 . . . . 0.0 109.984 179.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.406 ' HB3' ' CG ' ' A' ' 56' ' ' PHE . 20.7 m-85 -76.94 -35.32 57.36 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.346 179.48 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -65.75 -42.53 90.82 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.573 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.406 ' HB3' ' CE2' ' A' ' 18' ' ' PHE . 15.8 mmtt -66.22 -44.46 83.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.824 0.345 . . . . 0.0 110.283 179.614 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.409 ' HA ' ' CZ ' ' A' ' 18' ' ' PHE . 3.7 tp10 -49.13 -64.02 0.93 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.416 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -44.19 -46.67 8.99 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.01 0.433 . . . . 0.0 111.048 179.404 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.09 -54.13 42.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.36 179.34 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 37.8 t-80 -52.22 -36.01 50.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.58 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 57.4 mt -72.61 -53.16 19.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.667 179.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -44.69 -44.18 8.92 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.046 179.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 -59.56 -40.69 88.11 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.526 179.35 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.3 -26.31 66.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.567 179.491 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -92.14 0.92 57.47 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.421 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 66.58 17.54 66.9 Favored Glycine 0 C--N 1.333 0.386 0 C-N-CA 120.512 -0.852 . . . . 0.0 112.488 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.7 mmmp? -92.61 157.51 16.46 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.907 0.384 . . . . 0.0 111.207 -179.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -72.78 127.24 31.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.516 179.546 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.84 -14.18 62.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.467 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -103.7 12.64 53.69 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.356 -0.926 . . . . 0.0 113.73 -178.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.15 -164.01 0.05 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 117.282 0.541 . . . . 0.0 110.846 179.272 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -92.48 -46.36 7.68 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.239 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.0 -25.15 66.68 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.868 -179.151 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 11.0 p -76.22 -44.43 36.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 120.868 0.366 . . . . 0.0 110.494 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -60.67 -41.6 95.4 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 179.011 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 59.1 m -59.95 -54.83 41.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.061 178.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 58.5 tp -51.27 -61.08 2.45 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.159 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.4 mtpm? -51.38 -39.44 57.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.739 0.304 . . . . 0.0 110.443 179.172 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -58.5 -41.67 85.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.636 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.43 -50.41 52.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.985 0.422 . . . . 0.0 110.741 179.422 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.406 ' CG ' ' HB3' ' A' ' 29' ' ' PHE . 0.1 OUTLIER -53.04 -28.54 24.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.682 179.786 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -63.04 -52.23 49.41 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.485 -0.864 . . . . 0.0 112.327 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -60.83 -26.37 65.13 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.571 -0.823 . . . . 0.0 112.574 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -56.01 -43.8 78.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.735 0.303 . . . . 0.0 110.593 -179.819 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 56.6 t80 -59.28 -40.98 87.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.159 179.575 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -43.94 -48.69 8.59 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.902 0.382 . . . . 0.0 110.858 179.617 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 55.9 t80 -59.65 -39.73 85.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.465 179.369 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 14.6 mt -65.06 -55.32 19.54 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.644 179.688 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -55.38 -48.49 74.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.59 179.505 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 4.6 mtmt -64.25 -51.54 63.1 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.88 0.371 . . . . 0.0 110.602 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -61.57 -41.5 97.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.797 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -75.31 -26.06 58.37 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.069 0.461 . . . . 0.0 111.385 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 102.65 1.57 49.74 Favored Glycine 0 CA--C 1.519 0.314 0 C-N-CA 120.803 -0.713 . . . . 0.0 113.921 178.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 33.7 m -103.46 175.6 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 117.13 0.465 . . . . 0.0 110.576 179.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -84.61 175.6 50.79 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.916 -0.659 . . . . 0.0 114.086 -178.265 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.91 -15.66 59.59 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 115.099 -0.55 . . . . 0.0 110.915 178.198 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -111.57 13.0 21.31 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 122.573 0.349 . . . . 0.0 111.678 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -93.05 -164.42 37.64 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.437 -0.887 . . . . 0.0 112.703 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 58.2 m -141.61 153.74 44.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.926 0.394 . . . . 0.0 111.224 -179.173 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.414 ' CD1' ' HB3' ' A' ' 24' ' ' LEU . 0.1 OUTLIER -115.86 141.19 48.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.45 179.664 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 7.8 p -85.58 178.67 7.31 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.828 0.347 . . . . 0.0 111.082 -179.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -71.45 -49.42 41.67 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.526 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -57.53 -31.69 66.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.077 179.37 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -73.79 -41.37 62.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.03 178.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -53.11 -51.53 61.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.355 178.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 59.9 mt -55.91 -52.07 53.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.484 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.77 -52.0 67.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.785 -179.612 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 18.5 m -72.02 -42.26 68.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 N-CA-C 112.022 0.379 . . . . 0.0 112.022 -179.332 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 83.2 m -61.16 -46.75 89.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.022 0.439 . . . . 0.0 110.374 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -50.88 -47.93 60.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.85 -0.613 . . . . 0.0 111.411 -179.819 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -59.04 -37.69 77.6 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.425 -179.733 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.8 mt -60.45 -47.97 83.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.389 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 28.0 mm -71.0 -45.07 74.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.509 -179.39 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 -89.2 -78.29 0.36 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.72 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.58 -158.53 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.701 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 66.42 142.79 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.935 0.397 . . . . 0.0 110.677 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -76.17 155.85 46.39 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.959 -0.638 . . . . 0.0 113.185 -179.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -55.15 -52.93 61.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.164 0.506 . . . . 0.0 110.434 179.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.63 -11.96 20.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.541 -0.754 . . . . 0.0 112.164 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.4 t -74.86 -42.99 56.85 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.728 0.299 . . . . 0.0 110.897 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.403 ' O ' ' HB3' ' A' ' 100' ' ' LEU . 0.2 OUTLIER -68.72 -43.05 76.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.071 179.896 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 20.8 m-20 -66.36 -37.04 84.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.653 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 7.8 ttm180 -63.66 -64.66 0.84 Allowed 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.305 0.483 . . . . 0.0 112.305 -179.033 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 38.2 t -70.55 -35.75 62.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 112.917 0.71 . . . . 0.0 112.917 -177.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.403 ' HB3' ' O ' ' A' ' 96' ' ' PHE . 5.1 tp -87.95 -28.12 21.68 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 119.893 -0.723 . . . . 0.0 111.65 -178.149 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -44.95 -56.84 5.7 Favored Glycine 0 CA--C 1.519 0.322 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.45 179.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -62.77 -20.15 70.37 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.721 2.28 . . . . 0.0 111.845 179.425 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 6.3 t -78.37 -51.69 17.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.046 -179.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 8.5 t -68.2 -32.83 57.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 120.981 0.42 . . . . 0.0 110.929 179.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -56.64 -53.39 58.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.692 179.467 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -47.26 -36.13 10.05 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.746 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.401 ' O ' ' HG3' ' A' ' 110' ' ' MET . 23.9 mt -74.44 -39.0 47.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.802 0.334 . . . . 0.0 111.226 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 35.1 t -60.81 -37.18 75.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.742 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -57.89 -42.13 94.55 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.429 179.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' MET . . . . . 0.401 ' HG3' ' O ' ' A' ' 107' ' ' ILE . 4.1 ptp -79.66 -26.55 41.01 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.804 0.335 . . . . 0.0 110.505 179.734 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 65.2 m -93.48 45.3 1.16 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.15 0.5 . . . . 0.0 111.309 -178.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 34.0 t0 -165.9 107.91 0.75 Allowed 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.585 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -93.55 -3.03 53.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.149 178.724 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -102.04 -13.26 17.61 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-O 120.596 0.236 . . . . 0.0 110.877 179.528 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . 61.99 56.96 2.2 Favored 'General case' 0 C--N 1.332 -0.155 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 179.15 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 47.4 p30 -112.83 -12.64 13.29 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 121.022 -0.271 . . . . 0.0 111.202 179.173 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 79.73 8.65 87.54 Favored Glycine 0 C--N 1.334 0.431 0 C-N-CA 120.82 -0.705 . . . . 0.0 113.346 179.328 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -121.4 165.19 15.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.032 0.444 . . . . 0.0 111.447 -179.51 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.442 HG13 HD13 ' A' ' 158' ' ' LEU . 41.1 mm -111.54 99.69 9.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.74 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . 0.44 ' O ' ' N ' ' A' ' 123' ' ' GLU . 5.9 m120 -85.72 160.27 19.57 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 179.506 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -47.97 -36.84 13.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.731 0.3 . . . . 0.0 110.839 -179.188 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -71.14 -28.58 64.38 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.013 179.002 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 120' ' ' ASN . 45.5 mt-10 -81.73 -48.96 10.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.159 179.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -56.7 -51.74 67.62 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.799 0.333 . . . . 0.0 111.083 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . 0.423 ' HA ' ' CB ' ' A' ' 138' ' ' ALA . . . -53.13 -43.36 66.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.673 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -57.38 -34.11 68.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.588 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 13.5 t90 -81.87 -41.74 20.55 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 111.765 0.283 . . . . 0.0 111.765 -178.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.42 ' CD1' ' HA ' ' A' ' 138' ' ' ALA . 50.6 mt -61.0 -42.17 97.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.95 0.405 . . . . 0.0 110.869 -179.725 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 40.3 p -71.45 -19.64 62.2 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.311 179.001 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.78 -36.53 84.2 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.933 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -87.82 -5.49 58.59 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.62 -0.264 . . . . 0.0 111.572 -179.435 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 111.83 33.81 2.15 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.204 -0.998 . . . . 0.0 113.233 179.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' MET . . . . . . . . . . . . . 9.8 mmt -101.75 153.01 20.18 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 179.149 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 52.6 p -82.72 149.74 27.12 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.618 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 1.6 tptt -56.09 -25.34 45.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.929 -179.096 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -75.65 -25.99 57.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.917 0.389 . . . . 0.0 111.027 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -73.34 -33.94 65.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.674 -179.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . 0.423 ' CB ' ' HA ' ' A' ' 125' ' ' ALA . . . -60.99 -59.34 5.53 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.037 0.446 . . . . 0.0 110.742 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -47.57 -43.49 25.43 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.24 179.551 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.42 -51.2 31.2 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.751 -179.382 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -63.07 -36.04 82.25 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.115 0.483 . . . . 0.0 111.188 -179.187 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 71.9 t80 -54.42 -59.96 3.99 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.02 179.446 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 40.0 t30 -56.83 -34.31 67.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.477 -0.783 . . . . 0.0 112.912 -178.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -67.3 -33.28 74.96 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 112.25 0.463 . . . . 0.0 112.25 -178.702 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . 0.436 ' O ' ' N ' ' A' ' 147' ' ' THR . 13.3 t -84.76 -33.07 7.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 N-CA-C 112.626 0.602 . . . . 0.0 112.626 -178.153 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.15 78.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.026 0.441 . . . . 0.0 111.368 -179.36 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 147' ' ' THR . . . . . 0.436 ' N ' ' O ' ' A' ' 145' ' ' VAL . 0.2 OUTLIER -56.56 -34.7 67.37 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.629 -0.714 . . . . 0.0 112.56 179.468 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 148' ' ' ASN . . . . . 0.417 ' ND2' ' OE2' ' A' ' 157' ' ' GLU . 30.5 p30 -94.5 7.43 45.61 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 -178.36 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 40.95 38.57 1.71 Allowed Glycine 0 C--N 1.336 0.535 0 C-N-CA 121.096 -0.573 . . . . 0.0 112.969 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 30.2 p-10 -94.99 -7.37 39.98 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 111.644 0.239 . . . . 0.0 111.644 -179.466 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 87.75 6.83 75.89 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.452 -0.88 . . . . 0.0 113.431 179.167 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -135.06 135.19 41.08 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 117.507 0.654 . . . . 0.0 111.149 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 6.9 mt -100.62 101.56 12.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.12 178.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 12.6 p -87.57 169.96 11.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.157 0.503 . . . . 0.0 111.977 -178.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 58.5 mt -48.61 -46.47 39.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.161 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.78 -61.01 2.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.298 -179.716 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 157' ' ' GLU . . . . . 0.417 ' OE2' ' ND2' ' A' ' 148' ' ' ASN . 17.9 mt-10 -65.41 -14.91 61.94 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.948 -0.569 . . . . 0.0 112.362 -179.014 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 158' ' ' LEU . . . . . 0.442 HD13 HG13 ' A' ' 119' ' ' ILE . 0.4 OUTLIER -70.17 -66.88 0.54 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.941 0.4 . . . . 0.0 110.485 179.596 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 2.3 pp . . . . . 0 C--N 1.331 -0.198 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.015 -179.867 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 15.7 mm . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.858 0.361 . . . . 0.0 111.457 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.12 -29.66 70.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.804 -179.429 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.7 m -61.3 -43.29 99.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.839 0.352 . . . . 0.0 111.224 -179.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.31 -45.86 89.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.555 -179.403 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.14 -43.62 98.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.475 -179.033 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 46.0 mt -77.41 -36.58 53.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.666 0.27 . . . . 0.0 111.452 -179.15 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.74 -57.46 12.92 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.786 0.326 . . . . 0.0 110.878 -179.797 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.413 ' O ' ' N ' ' A' ' 15' ' ' ARG . 5.8 mttt -56.25 -45.44 80.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.91 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.415 ' NH2' ' CZ2' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -47.63 -30.39 3.65 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.916 0.389 . . . . 0.0 111.011 179.896 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -74.11 -58.98 2.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.646 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -69.38 -14.38 62.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.155 179.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.413 ' N ' ' O ' ' A' ' 11' ' ' LYS . 0.2 OUTLIER -73.03 -21.94 60.72 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.601 0.239 . . . . 0.0 111.138 -179.626 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.415 ' CZ2' ' NH2' ' A' ' 12' ' ' ARG . 6.4 m0 -99.0 -93.84 0.25 Allowed 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 116.631 -0.258 . . . . 0.0 111.108 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 40.33 73.35 0.12 Allowed 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 121.013 0.435 . . . . 0.0 111.667 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -54.24 -51.23 65.17 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.578 -179.309 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 25.8 p-10 -99.13 -13.25 19.87 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 -179.417 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.87 47.57 9.47 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.41 -0.9 . . . . 0.0 112.247 -179.539 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 41.6 p-10 -93.18 -9.63 38.62 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 111.785 0.291 . . . . 0.0 111.785 -179.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 80.0 21.07 66.33 Favored Glycine 0 C--N 1.331 0.303 0 C-N-CA 120.551 -0.833 . . . . 0.0 112.391 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -155.67 176.4 12.67 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 110.184 -0.302 . . . . 0.0 110.184 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -115.01 122.16 45.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.726 0.298 . . . . 0.0 110.532 179.683 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -121.48 172.48 8.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.004 0.43 . . . . 0.0 110.884 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.08 -34.25 76.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.878 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.1 -20.71 66.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.105 179.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -71.31 -32.9 69.17 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.908 0.385 . . . . 0.0 110.058 179.421 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 -77.15 -37.1 54.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.799 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -64.16 -40.04 95.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.458 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 12.5 mttt -66.53 -38.95 88.26 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.898 0.38 . . . . 0.0 110.11 179.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -49.86 -65.03 0.63 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.482 179.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -45.23 -47.7 12.7 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.013 0.435 . . . . 0.0 110.786 179.585 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -61.74 -54.64 39.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.056 179.193 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 37.9 t-80 -54.39 -41.79 69.66 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.436 179.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 17.7 mm -66.08 -56.75 13.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 179.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -42.21 -42.27 2.98 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.905 0.383 . . . . 0.0 111.359 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -59.52 -38.78 81.86 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.111 179.536 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.14 -27.32 66.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.068 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -90.48 2.16 55.97 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.325 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 59.1 15.88 31.1 Favored Glycine 0 C--N 1.333 0.398 0 C-N-CA 120.865 -0.683 . . . . 0.0 113.118 179.41 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.86 92.99 6.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.855 0.359 . . . . 0.0 110.916 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.401 ' HB3' ' HB1' ' A' ' 46' ' ' ALA . 0.7 OUTLIER 38.64 -158.53 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.94 179.479 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -139.67 -57.44 0.57 Allowed 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 107.733 -1.21 . . . . 0.0 107.733 177.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -96.47 27.79 15.92 Favored Glycine 0 N--CA 1.451 -0.322 0 CA-C-N 114.628 -1.169 . . . . 0.0 111.829 178.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.401 ' HB1' ' HB3' ' A' ' 43' ' ' ASP . . . -69.89 -169.3 0.25 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.876 0.369 . . . . 0.0 111.244 179.747 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -80.83 -53.32 6.58 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.402 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -59.59 -27.43 66.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.833 -178.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.0 t -76.41 -43.27 36.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 179.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 33.8 tp60 -61.12 -42.2 98.1 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 178.388 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 54.1 m -59.82 -56.8 17.27 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.474 179.15 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 40.1 tp -52.29 -58.44 6.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.322 -179.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -51.42 -39.97 58.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.752 0.31 . . . . 0.0 110.482 179.448 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 15.2 t30 -59.23 -41.33 88.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.829 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.89 -41.5 82.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.761 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -57.5 -29.8 64.59 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.764 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -65.97 -49.41 58.68 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.935 -0.65 . . . . 0.0 112.756 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.4 ' O ' ' HB2' ' A' ' 61' ' ' ASP . . . -58.76 -33.48 73.11 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.855 -179.705 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 27.1 tp -54.97 -36.24 65.15 Favored 'General case' 0 C--N 1.328 -0.368 0 O-C-N 122.669 -0.312 . . . . 0.0 110.85 -179.414 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.434 ' HA ' ' CD1' ' A' ' 63' ' ' LEU . 18.2 t80 -63.37 -43.56 97.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.986 179.769 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.4 ' HB2' ' O ' ' A' ' 58' ' ' GLY . 1.3 m-20 -43.55 -49.16 7.51 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.415 -179.763 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -57.22 -35.16 69.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.037 0.446 . . . . 0.0 110.569 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.434 ' CD1' ' HA ' ' A' ' 60' ' ' PHE . 27.5 mt -66.29 -54.86 19.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.033 179.755 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.42 ' O ' ' N ' ' A' ' 68' ' ' GLY . . . -56.05 -42.9 77.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.936 0.398 . . . . 0.0 111.142 -179.738 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.64 -57.95 6.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.267 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.83 -41.58 97.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.768 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -77.49 -25.65 50.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.984 0.421 . . . . 0.0 111.118 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 64' ' ' ALA . . . 80.19 53.77 4.05 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.873 -0.679 . . . . 0.0 113.634 178.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.445 ' CG1' ' HA3' ' A' ' 73' ' ' GLY . 92.4 t -111.38 -88.08 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.67 0.235 . . . . 0.0 111.268 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.551 ' O ' ' CB ' ' A' ' 71' ' ' SER . . . 177.04 -20.95 0.05 OUTLIER Glycine 0 CA--C 1.525 0.693 0 C-N-CA 119.681 -1.247 . . . . 0.0 114.607 -179.761 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.551 ' CB ' ' O ' ' A' ' 70' ' ' GLY . 21.7 m 110.57 -27.75 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 124.197 0.999 . . . . 0.0 109.915 -178.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -110.62 5.87 21.35 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.315 179.807 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.445 ' HA3' ' CG1' ' A' ' 69' ' ' VAL . . . -95.03 -156.02 31.78 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.225 -0.988 . . . . 0.0 112.599 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -143.26 155.75 44.57 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.041 0.448 . . . . 0.0 111.635 -179.229 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -115.31 136.92 52.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.251 179.422 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 2.2 p -84.33 171.88 12.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.996 -179.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -62.18 -49.07 77.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.74 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -58.21 -31.33 67.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.243 179.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -73.2 -42.04 63.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.279 179.135 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.461 ' CE1' ' OG1' ' A' ' 84' ' ' THR . 36.0 t80 -51.8 -56.08 16.05 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.782 179.364 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.47 HG22 HD11 ' A' ' 81' ' ' ILE . 37.4 mt -54.86 -49.33 70.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.583 -179.612 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 5.3 mtm-85 -58.78 -54.98 40.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.656 -179.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 50.8 t -71.33 -40.55 73.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 -179.18 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.461 ' OG1' ' CE1' ' A' ' 80' ' ' PHE . 68.7 m -60.2 -43.79 95.65 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.934 0.397 . . . . 0.0 110.007 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -47.27 -52.97 14.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.291 179.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -60.02 -36.42 77.22 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.441 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.87 -46.3 81.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.491 179.754 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 10.5 mt -74.54 -39.66 47.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.812 179.625 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -91.37 -82.37 0.3 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.229 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.35 -167.5 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.285 -179.603 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.443 ' HB3' ' CB ' ' A' ' 95' ' ' SER . 3.1 mt-30 75.25 -74.35 0.08 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.817 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 123.14 172.72 13.9 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.223 -0.989 . . . . 0.0 113.355 179.438 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -57.31 -57.79 11.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.035 0.445 . . . . 0.0 111.265 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -59.41 -14.62 12.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.742 -0.663 . . . . 0.0 112.577 -179.113 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' SER . . . . . 0.443 ' CB ' ' HB3' ' A' ' 91' ' ' GLN . 0.2 OUTLIER -77.5 -44.47 28.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.724 0.297 . . . . 0.0 111.013 -179.73 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.419 ' CE2' HD21 ' A' ' 100' ' ' LEU . 0.6 OUTLIER -70.8 -40.01 72.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.963 179.849 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.415 ' O ' ' N ' ' A' ' 101' ' ' GLY . 0.7 OUTLIER -68.6 -36.98 79.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.069 -0.514 . . . . 0.0 112.015 -179.37 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 3.4 ttp85 -64.54 -66.64 0.52 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.805 0.336 . . . . 0.0 111.73 -179.05 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 4.0 p -65.26 -39.38 85.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.155 -0.475 . . . . 0.0 112.274 -178.208 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.419 HD21 ' CE2' ' A' ' 96' ' ' PHE . 8.4 tp -88.48 -24.21 23.03 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 120.203 -0.599 . . . . 0.0 112.12 -177.844 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.468 ' N ' ' HD2' ' A' ' 102' ' ' PRO . . . -40.4 -53.46 3.47 Favored Glycine 0 CA--C 1.523 0.558 0 C-N-CA 120.902 -0.666 . . . . 0.0 112.947 179.502 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . 0.468 ' HD2' ' N ' ' A' ' 101' ' ' GLY . 58.5 Cg_endo -71.43 -9.31 24.99 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.619 2.212 . . . . 0.0 112.478 179.458 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 86.1 t -80.98 -53.81 11.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.882 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 45.5 t -69.01 -33.38 58.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.116 0.484 . . . . 0.0 110.612 179.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 17.3 mttt -58.76 -46.75 86.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.425 178.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -52.7 -36.96 50.32 Favored Glycine 0 N--CA 1.451 -0.301 0 CA-C-N 115.756 -0.656 . . . . 0.0 112.558 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.449 HG22 ' CZ2' ' A' ' 127' ' ' TRP . 26.3 mm -73.69 -40.49 54.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.909 0.385 . . . . 0.0 110.793 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 43.6 t -64.08 -36.59 77.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.298 179.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -60.93 -40.71 98.77 Favored Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.869 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 5.1 ptp -78.67 -23.99 45.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.616 0.245 . . . . 0.0 111.307 -179.307 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 26.1 t -98.99 -21.74 16.09 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 113.157 0.799 . . . . 0.0 113.157 -178.071 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . 0.404 ' OD2' ' N ' ' A' ' 117' ' ' GLY . 2.1 m-20 -63.52 104.53 0.65 Allowed 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.377 -0.529 . . . . 0.0 111.395 -178.417 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.79 -20.44 27.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.745 -0.662 . . . . 0.0 110.816 179.107 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 21.1 p-10 -108.65 7.84 26.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.496 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . 42.03 57.32 3.26 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.68 0.276 . . . . 0.0 111.509 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 24.4 p-10 -116.31 -11.06 11.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.721 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . 0.404 ' N ' ' OD2' ' A' ' 112' ' ' ASP . . . 77.85 11.43 85.42 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.906 179.812 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -123.51 166.27 15.7 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.941 0.401 . . . . 0.0 111.289 -179.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 47.7 mm -109.44 100.31 10.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.331 -179.337 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . 0.423 ' O ' ' N ' ' A' ' 123' ' ' GLU . 1.0 OUTLIER -85.17 158.79 20.28 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 178.853 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . 0.437 ' HA ' ' CD1' ' A' ' 142' ' ' PHE . . . -48.77 -35.88 15.26 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.83 -0.348 . . . . 0.0 111.1 -179.075 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.5 -29.14 65.58 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 178.734 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . 0.423 ' N ' ' O ' ' A' ' 120' ' ' ASN . 25.9 mt-10 -79.61 -48.98 12.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.31 -0.404 . . . . 0.0 109.994 178.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . 0.485 ' CE2' ' CD1' ' A' ' 128' ' ' LEU . 20.7 t80 -57.14 -50.89 71.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.352 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -53.67 -45.93 70.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.16 -179.459 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -55.2 -33.75 63.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.615 -179.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' TRP . . . . . 0.449 ' CZ2' HG22 ' A' ' 107' ' ' ILE . 8.2 t90 -83.83 -45.01 13.74 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 112.356 0.502 . . . . 0.0 112.356 -178.568 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.485 ' CD1' ' CE2' ' A' ' 124' ' ' PHE . 12.1 mt -59.08 -41.36 87.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.791 0.329 . . . . 0.0 111.062 -179.205 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -71.36 -26.54 62.85 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.239 178.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.96 -36.54 83.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.762 -0.653 . . . . 0.0 111.177 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 11.6 mt -84.85 3.45 37.82 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.364 0.505 . . . . 0.0 112.364 -178.362 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 104.72 24.31 7.42 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.094 -1.05 . . . . 0.0 113.633 178.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' MET . . . . . 0.419 ' CG ' ' O ' ' A' ' 128' ' ' LEU . 3.2 mmt -99.48 155.13 17.72 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 117.04 0.42 . . . . 0.0 110.165 179.339 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -82.78 163.7 21.08 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.754 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -66.76 -22.15 66.05 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.723 -179.322 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -80.29 -26.72 38.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.427 -0.352 . . . . 0.0 111.142 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -73.54 -38.63 65.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.345 -179.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . 0.436 ' HA ' ' CD1' ' A' ' 128' ' ' LEU . . . -60.45 -59.24 5.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.833 0.349 . . . . 0.0 110.959 -179.792 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -47.04 -43.65 20.01 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.172 179.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.02 -49.02 55.56 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.653 -179.477 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -62.78 -36.61 83.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.653 -179.139 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 142' ' ' PHE . . . . . 0.437 ' CD1' ' HA ' ' A' ' 121' ' ' ALA . 73.4 t80 -54.75 -59.23 5.01 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.803 179.513 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -57.51 -34.45 69.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.555 -0.748 . . . . 0.0 112.964 -179.19 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -67.61 -32.86 73.87 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 112.196 0.443 . . . . 0.0 112.196 -178.389 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . 0.45 ' O ' ' N ' ' A' ' 147' ' ' THR . 16.5 t -83.39 -29.49 7.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 112.205 0.446 . . . . 0.0 112.205 -178.677 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -62.35 78.16 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.163 0.506 . . . . 0.0 111.274 -179.09 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 147' ' ' THR . . . . . 0.45 ' N ' ' O ' ' A' ' 145' ' ' VAL . 47.3 m -56.13 -33.26 64.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.514 -0.766 . . . . 0.0 112.529 179.746 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 148' ' ' ASN . . . . . 0.42 ' ND2' ' OE2' ' A' ' 157' ' ' GLU . 29.0 p30 -98.2 7.12 46.72 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.498 0.555 . . . . 0.0 112.498 -178.449 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 39.72 38.19 1.05 Allowed Glycine 0 C--N 1.335 0.501 0 C-N-CA 121.067 -0.587 . . . . 0.0 113.511 179.585 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 43.9 p-10 -95.55 -5.15 43.36 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.581 0.229 . . . . 0.0 111.583 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 91.26 1.97 71.48 Favored Glycine 0 C--N 1.333 0.409 0 C-N-CA 120.633 -0.794 . . . . 0.0 113.669 178.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -132.97 135.08 45.29 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 117.517 0.659 . . . . 0.0 111.145 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 21.0 mt -95.86 102.34 14.12 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.024 178.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 50.5 m -86.86 161.12 18.48 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.117 0.484 . . . . 0.0 111.54 -179.024 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 155' ' ' LEU . . . . . 0.402 ' O ' ' HG ' ' A' ' 159' ' ' LEU . 1.5 tt -48.34 -44.09 33.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.235 -179.791 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -55.7 -60.36 3.55 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.537 -179.459 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 157' ' ' GLU . . . . . 0.42 ' OE2' ' ND2' ' A' ' 148' ' ' ASN . 31.9 mt-10 -63.0 -17.39 62.15 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.908 -0.587 . . . . 0.0 112.377 -178.666 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 4.4 mt -71.92 -48.73 43.4 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.758 0.313 . . . . 0.0 110.341 179.208 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . 0.402 ' HG ' ' O ' ' A' ' 155' ' ' LEU . 0.9 OUTLIER . . . . . 0 N--CA 1.464 0.236 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.048 -179.768 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 40.1 mt . . . . . 0 CA--C 1.522 -0.12 0 CA-C-O 120.823 0.344 . . . . 0.0 111.242 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.46 -28.05 69.0 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.511 -179.477 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.01 -56.25 23.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.834 0.35 . . . . 0.0 110.671 179.792 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.11 -45.43 61.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.062 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.56 -48.16 82.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.344 -179.138 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.9 mt -75.96 -33.26 59.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.783 0.325 . . . . 0.0 111.1 -179.297 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.13 -63.76 1.19 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.734 -179.808 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' A' ' 15' ' ' ARG . 0.8 OUTLIER -50.56 -43.06 56.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.498 179.652 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.23 -34.85 3.0 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.115 179.566 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 14.3 t80 -73.2 -53.96 9.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.565 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -70.92 -15.5 62.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.234 179.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.438 ' N ' ' O ' ' A' ' 11' ' ' LYS . 52.9 ttt-85 -75.53 -23.48 56.68 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 111.776 0.287 . . . . 0.0 111.776 -179.323 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.468 ' CH2' ' HG3' ' A' ' 32' ' ' GLU . 10.9 m95 -99.3 -96.53 0.24 Allowed 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 121.204 -0.198 . . . . 0.0 111.216 -179.693 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 41.05 73.08 0.13 Allowed 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.041 0.448 . . . . 0.0 111.432 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -54.85 -49.08 71.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.585 -178.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 33.0 p30 -98.04 -13.15 21.2 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 111.885 0.328 . . . . 0.0 111.885 -179.614 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.54 45.23 14.18 Favored Glycine 0 C--N 1.331 0.267 0 C-N-CA 120.498 -0.858 . . . . 0.0 112.624 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.6 p-10 -92.79 -8.63 43.12 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 111.814 0.301 . . . . 0.0 111.814 -179.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 78.69 20.45 71.15 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.38 -0.915 . . . . 0.0 111.921 -179.335 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -153.47 168.68 25.31 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.973 -0.381 . . . . 0.0 109.973 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -106.91 116.79 32.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.824 0.345 . . . . 0.0 110.768 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -120.01 169.35 10.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.846 -179.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.0 ttt180 -69.89 -42.17 73.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.39 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.33 -23.49 15.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.816 179.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -72.91 -28.81 62.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.192 179.378 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -75.74 -39.64 56.87 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.833 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -62.36 -37.4 85.56 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.154 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 19.1 mttt -68.22 -40.49 82.06 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.891 0.377 . . . . 0.0 110.233 179.147 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.468 ' HG3' ' CH2' ' A' ' 16' ' ' TRP . 75.6 tt0 -52.43 -67.45 0.25 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.237 179.66 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -44.0 -47.28 8.63 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.994 0.426 . . . . 0.0 111.033 179.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -62.68 -51.57 66.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.165 179.39 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -56.15 -25.65 47.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.674 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 20.6 mt -82.28 -54.3 9.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.849 179.659 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -44.53 -39.84 5.2 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 120.921 0.391 . . . . 0.0 111.053 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -60.55 -39.16 86.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.435 179.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -56.56 -21.77 28.75 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.693 0.282 . . . . 0.0 110.712 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -93.99 0.47 56.03 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.422 179.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 50.72 79.1 0.08 OUTLIER Glycine 0 C--N 1.333 0.396 0 C-N-CA 120.874 -0.679 . . . . 0.0 113.037 179.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 23.3 mtmt -149.81 -96.12 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 110.414 -0.217 . . . . 0.0 110.414 179.098 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -169.84 125.07 0.81 Allowed 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.907 0.384 . . . . 0.0 111.648 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.6 -6.92 22.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.836 179.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -102.24 15.6 56.18 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.501 -0.857 . . . . 0.0 113.326 -179.417 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.71 -166.49 0.15 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.964 0.411 . . . . 0.0 111.003 179.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -93.23 -46.65 7.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.327 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -62.5 -21.53 65.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.319 -179.684 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.419 ' CG1' ' N ' ' A' ' 50' ' ' GLN . 11.2 p -76.1 -47.38 31.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.085 179.454 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.419 ' N ' ' CG1' ' A' ' 49' ' ' VAL . 18.2 tt0 -60.89 -42.5 98.09 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 178.691 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 18.1 m -58.24 -56.22 24.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.075 179.186 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 18.1 tp -51.57 -59.26 4.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.277 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.6 mtpm? -51.08 -42.5 60.63 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.534 0.207 . . . . 0.0 110.649 179.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -57.26 -42.1 80.92 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 179.355 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.82 -41.72 82.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.673 179.224 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -61.35 -30.87 70.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.502 179.603 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -64.86 -50.93 55.8 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.387 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -57.06 -31.16 61.38 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.644 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 9.0 tp -59.1 -40.09 84.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.583 0.23 . . . . 0.0 110.883 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.405 ' O ' ' N ' ' A' ' 63' ' ' LEU . 42.6 t80 -59.37 -44.54 92.72 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 179.587 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -41.67 -47.44 3.96 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.981 0.419 . . . . 0.0 111.085 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 17.8 t80 -59.94 -36.62 77.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.931 179.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.405 ' N ' ' O ' ' A' ' 60' ' ' PHE . 58.8 mt -66.67 -55.89 13.12 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.103 -179.73 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.422 ' CB ' ' O ' ' A' ' 69' ' ' VAL . . . -55.04 -49.26 72.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.332 -0.395 . . . . 0.0 112.024 179.744 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.6 -50.37 69.65 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.802 0.334 . . . . 0.0 111.01 -179.499 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -63.33 -41.01 98.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.974 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -78.34 -26.19 46.69 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.904 0.383 . . . . 0.0 111.393 -179.511 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 64' ' ' ALA . . . 102.51 1.55 50.2 Favored Glycine 0 CA--C 1.52 0.377 0 C-N-CA 120.595 -0.812 . . . . 0.0 113.94 179.163 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.422 ' O ' ' CB ' ' A' ' 64' ' ' ALA . 35.5 m -102.75 171.57 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.997 0.399 . . . . 0.0 110.624 179.71 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -86.88 178.51 48.45 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 121.013 -0.613 . . . . 0.0 114.087 -178.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.2 t -64.95 -14.74 60.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.21 -0.495 . . . . 0.0 111.13 178.399 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -109.35 14.09 23.87 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.722 -0.217 . . . . 0.0 111.336 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -95.4 -165.08 34.84 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.426 -0.892 . . . . 0.0 112.92 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -141.68 155.06 45.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.867 0.365 . . . . 0.0 111.29 -179.552 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.5 mp -114.32 141.94 46.95 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.778 179.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 5.3 p -88.57 162.52 16.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.093 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -56.12 -48.4 76.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.963 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.43 -31.08 68.95 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.862 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 16.6 mm-40 -74.26 -40.99 61.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.066 0.46 . . . . 0.0 110.106 179.117 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.525 ' CE1' ' CG2' ' A' ' 84' ' ' THR . 39.5 t80 -53.8 -54.99 30.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.835 179.175 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 3.9 mt -53.79 -51.14 47.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.695 -179.581 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 31.3 mmt180 -58.15 -48.81 79.11 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.393 -179.559 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 21.5 t -73.04 -42.46 59.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 N-CA-C 112.259 0.466 . . . . 0.0 112.259 -179.317 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.525 ' CG2' ' CE1' ' A' ' 80' ' ' PHE . 33.4 p -59.0 -44.08 91.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.94 0.4 . . . . 0.0 110.577 -179.572 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -52.16 -47.63 65.36 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.245 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -59.94 -39.99 87.41 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.604 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.423 HD21 ' N ' ' A' ' 87' ' ' LEU . 0.7 OUTLIER -57.42 -50.12 74.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.477 -179.796 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 4.4 mt -71.62 -47.43 57.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.591 -179.516 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -89.2 -76.07 0.42 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.399 -179.46 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.65 -161.49 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.83 0.347 . . . . 0.0 110.85 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 11.2 mm-40 63.25 143.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.022 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -77.51 165.74 53.01 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.691 179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -56.56 -56.65 18.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.944 0.402 . . . . 0.0 110.947 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.93 -12.27 10.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.788 -0.642 . . . . 0.0 112.482 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.76 -47.47 30.92 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.805 0.336 . . . . 0.0 110.327 179.71 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -67.8 -44.42 77.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.96 179.736 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 15.1 m120 -68.11 -36.14 79.28 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.041 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 43.8 ttp85 -62.29 -66.08 0.59 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.684 -179.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 16.7 t -72.01 -34.4 50.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 112.917 0.71 . . . . 0.0 112.917 -178.149 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 3.2 tp -87.56 -28.07 22.19 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 119.673 -0.811 . . . . 0.0 111.858 -177.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.453 ' N ' ' HD2' ' A' ' 102' ' ' PRO . . . -41.57 -54.26 4.13 Favored Glycine 0 CA--C 1.523 0.554 0 C-N-CA 120.869 -0.681 . . . . 0.0 112.74 179.524 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . 0.453 ' HD2' ' N ' ' A' ' 101' ' ' GLY . 57.0 Cg_endo -70.84 -15.15 33.05 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.644 2.229 . . . . 0.0 112.308 179.614 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 41.8 t -79.38 -52.82 14.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.944 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 26.9 t -67.15 -28.57 43.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.121 0.486 . . . . 0.0 110.403 179.341 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 8.6 mttt -57.84 -48.18 80.5 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.356 178.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -52.33 -44.57 58.32 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.3 179.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 4.9 mt -72.87 -32.25 39.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.83 0.348 . . . . 0.0 110.569 179.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 84.4 t -59.27 -42.01 85.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 179.132 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -75.66 57.36 2.99 Favored Glycine 0 CA--C 1.522 0.473 0 C-N-CA 121.021 -0.609 . . . . 0.0 112.159 178.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 22.3 mtp -159.05 -39.56 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.311 -0.444 . . . . 0.0 111.287 -179.581 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 2.7 m -92.35 43.21 1.12 Allowed 'General case' 0 CA--C 1.52 -0.186 0 CA-C-O 121.248 0.547 . . . . 0.0 111.625 -178.392 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . 0.434 ' OD1' ' N ' ' A' ' 115' ' ' ALA . 13.2 t70 -168.0 109.17 0.57 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.515 -179.578 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 9.1 mtmt -95.93 11.12 34.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.084 178.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -105.12 -19.66 13.75 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-O 120.8 0.333 . . . . 0.0 110.765 179.548 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . 0.434 ' N ' ' OD1' ' A' ' 112' ' ' ASP . . . 62.43 67.63 0.71 Allowed 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 179.312 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 25.8 p-10 -121.12 -11.21 8.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.389 179.237 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 84.5 2.62 88.88 Favored Glycine 0 CA--C 1.521 0.424 0 C-N-CA 120.586 -0.816 . . . . 0.0 113.406 179.412 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 12.0 mm-40 -124.85 165.56 17.82 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 117.323 0.562 . . . . 0.0 111.638 -179.389 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.441 ' HB ' ' CB ' ' A' ' 153' ' ' LEU . 25.6 mm -113.01 100.98 11.83 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.75 -179.138 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . 0.424 ' O ' ' N ' ' A' ' 123' ' ' GLU . 0.6 OUTLIER -86.01 160.04 19.44 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.686 -0.406 . . . . 0.0 110.042 179.345 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -48.4 -38.8 20.48 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.669 0.271 . . . . 0.0 111.282 -178.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -69.67 -27.52 65.1 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 179.111 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 120' ' ' ASN . 3.8 mt-10 -82.35 -46.71 13.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.25 -0.432 . . . . 0.0 109.892 178.739 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -56.57 -48.39 77.46 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.914 0.388 . . . . 0.0 110.847 179.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -54.92 -45.25 74.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.795 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -54.93 -34.43 63.16 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.657 -179.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 18.1 t90 -81.21 -39.85 24.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.784 0.326 . . . . 0.0 111.68 -179.005 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.08 -44.1 97.39 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.399 -179.601 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' THR . . . . . 0.41 ' HA ' ' O ' ' A' ' 133' ' ' MET . 18.1 p -73.45 -25.84 60.67 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.933 179.799 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -65.2 -37.74 88.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.051 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 3.4 mt -85.96 -6.4 59.06 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 112.237 0.458 . . . . 0.0 112.237 -178.349 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 114.11 24.21 4.6 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 119.938 -1.125 . . . . 0.0 114.069 178.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' MET . . . . . 0.41 ' O ' ' HA ' ' A' ' 129' ' ' THR . 2.3 mmt -100.93 154.48 18.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 117.263 0.532 . . . . 0.0 110.107 179.164 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 3.2 m -83.38 154.74 23.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.748 0.309 . . . . 0.0 110.595 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -59.79 -20.77 58.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.699 -179.396 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -80.26 -28.39 38.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.848 179.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -73.18 -39.0 65.97 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.074 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -58.9 -56.79 17.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.97 0.414 . . . . 0.0 110.416 179.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -49.56 -43.65 46.14 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.988 179.363 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -70.66 -48.09 56.6 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.658 -179.671 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . 0.422 ' HA ' ' NE2' ' A' ' 144' ' ' GLN . . . -63.32 -41.78 98.94 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.828 -179.222 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 62.3 t80 -51.28 -58.28 6.61 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.68 179.436 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -57.21 -34.5 68.59 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.739 -0.664 . . . . 0.0 112.19 -179.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 144' ' ' GLN . . . . . 0.422 ' NE2' ' HA ' ' A' ' 141' ' ' ALA . 5.7 mt-30 -66.12 -37.18 85.08 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 -178.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . 0.464 ' O ' ' N ' ' A' ' 147' ' ' THR . 21.3 t -84.01 -31.67 8.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 112.616 0.599 . . . . 0.0 112.616 -177.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.9 78.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.216 0.532 . . . . 0.0 110.936 -179.481 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 147' ' ' THR . . . . . 0.464 ' N ' ' O ' ' A' ' 145' ' ' VAL . 0.1 OUTLIER -56.9 -30.2 63.72 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.444 -0.798 . . . . 0.0 112.184 179.652 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 148' ' ' ASN . . . . . 0.4 ' ND2' ' OE2' ' A' ' 157' ' ' GLU . 46.9 p30 -99.57 5.92 45.89 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.488 0.551 . . . . 0.0 112.488 -178.513 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 41.02 41.75 2.77 Favored Glycine 0 C--N 1.336 0.536 0 C-N-CA 120.918 -0.658 . . . . 0.0 113.127 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 31.4 p-10 -96.47 -7.74 34.01 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 111.737 0.273 . . . . 0.0 111.737 -179.433 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 87.75 5.08 78.53 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.499 -0.858 . . . . 0.0 113.432 179.223 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -134.7 136.73 42.96 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 117.25 0.525 . . . . 0.0 111.401 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . 0.441 ' CB ' ' HB ' ' A' ' 119' ' ' ILE . 9.8 mt -99.84 102.48 13.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.1 178.751 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 14.0 m -90.49 168.43 11.84 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.922 0.392 . . . . 0.0 111.471 -179.137 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 5.6 tp -50.77 -45.63 59.13 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.677 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -56.66 -61.03 2.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.111 0.482 . . . . 0.0 110.106 179.501 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 157' ' ' GLU . . . . . 0.4 ' OE2' ' ND2' ' A' ' 148' ' ' ASN . 36.2 mt-10 -65.11 -13.28 57.69 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.655 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 158' ' ' LEU . . . . . 0.407 ' CD1' HG13 ' A' ' 119' ' ' ILE . 0.2 OUTLIER -70.47 -42.32 71.6 Favored 'General case' 0 N--CA 1.457 -0.099 0 CA-C-O 120.954 0.407 . . . . 0.0 110.016 179.183 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.52 -0.177 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.039 179.337 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 3.4 mt . . . . . 0 N--CA 1.456 -0.129 0 CA-C-O 121.113 0.482 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.92 -39.27 93.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.87 -179.463 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 m -59.71 -47.71 84.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.845 0.355 . . . . 0.0 111.093 -179.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -56.76 -50.34 72.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.483 -179.533 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -63.42 -46.27 87.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.612 -179.085 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.7 mt -75.35 -36.19 61.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.791 0.329 . . . . 0.0 111.28 -178.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.2 -45.94 89.75 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.757 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.417 ' O ' ' N ' ' A' ' 15' ' ' ARG . 1.5 mmpt? -66.86 -44.85 79.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.5 mmt180 -47.79 -33.84 7.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.21 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -73.95 -61.63 1.78 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.409 -179.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.09 -15.08 63.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.143 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.417 ' N ' ' O ' ' A' ' 11' ' ' LYS . 14.4 ttt85 -74.2 -17.04 60.95 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 111.651 0.241 . . . . 0.0 111.651 -179.374 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 53.1 m95 -109.0 -96.73 0.39 Allowed 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.848 -0.341 . . . . 0.0 111.798 -179.362 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 43.8 82.87 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 121.003 0.43 . . . . 0.0 110.864 -179.267 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.478 ' CZ ' ' HB3' ' A' ' 31' ' ' LYS . 0.2 OUTLIER -55.47 -52.68 62.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.822 -0.626 . . . . 0.0 112.076 -178.712 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.419 ' OD1' ' N ' ' A' ' 19' ' ' ASP . 20.4 p-10 -97.55 -12.61 22.35 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 111.805 0.298 . . . . 0.0 111.805 -179.296 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.26 44.06 18.78 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.497 -0.859 . . . . 0.0 112.366 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -92.29 -8.8 44.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.728 0.264 . . . . 0.0 111.562 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 82.58 20.16 62.46 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.577 -0.82 . . . . 0.0 112.425 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -155.27 177.72 11.03 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.579 0.228 . . . . 0.0 110.599 179.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -115.22 118.28 32.87 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.822 0.344 . . . . 0.0 110.492 179.782 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -115.11 171.06 7.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.097 0.475 . . . . 0.0 110.611 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 23.7 ttp180 -69.15 -34.17 74.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.932 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.63 -18.23 64.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.235 179.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -70.76 -29.63 65.9 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.788 0.327 . . . . 0.0 110.203 179.491 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -76.82 -39.31 51.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.265 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.38 -44.76 93.82 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.493 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.478 ' HB3' ' CZ ' ' A' ' 18' ' ' PHE . 5.4 mttt -64.7 -42.11 95.53 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.938 0.399 . . . . 0.0 110.015 179.468 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -53.4 -59.46 4.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.031 179.366 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -47.23 -49.15 23.74 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.007 0.432 . . . . 0.0 110.915 179.412 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.55 -47.86 84.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.069 179.493 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 4.4 t-80 -56.43 -22.91 34.96 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.648 179.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 58.2 mt -82.95 -55.7 6.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.141 179.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -44.29 -42.56 6.78 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-O 120.847 0.356 . . . . 0.0 111.255 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.11 -39.15 91.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.214 179.517 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.08 -30.77 71.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.064 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.404 ' CE2' ' HB3' ' A' ' 111' ' ' CYS . 0.1 OUTLIER -89.69 3.82 51.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.482 -179.745 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 52.92 65.49 3.33 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.458 -0.877 . . . . 0.0 112.487 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -147.63 91.48 1.96 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.814 0.34 . . . . 0.0 110.358 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 39.43 -160.75 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.863 179.768 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -140.06 -58.26 0.55 Allowed 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 177.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -96.09 24.27 30.8 Favored Glycine 0 N--CA 1.453 -0.21 0 CA-C-N 114.73 -1.123 . . . . 0.0 112.254 179.496 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.77 -173.59 0.48 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 117.151 0.476 . . . . 0.0 110.815 179.465 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -76.6 -51.38 11.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.046 0.451 . . . . 0.0 110.431 179.321 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -50.46 -39.07 46.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.801 -0.636 . . . . 0.0 112.312 -178.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 17.9 t -75.79 -37.98 36.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 C-N-CA 120.965 -0.294 . . . . 0.0 111.218 -179.097 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 17.8 tt0 -60.2 -42.58 95.42 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 178.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 24.9 m -57.03 -57.52 12.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.294 179.444 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 38.3 tp -50.56 -57.25 8.59 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.994 -0.282 . . . . 0.0 110.241 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 26.5 mtpp -50.42 -41.51 52.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.677 0.275 . . . . 0.0 110.484 179.294 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -58.69 -43.48 90.03 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 179.362 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.43 ' CB ' ' O ' ' A' ' 102' ' ' PRO . . . -67.58 -50.88 56.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.729 179.334 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -51.26 -30.67 18.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.533 179.722 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -62.25 -50.51 64.34 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.173 179.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -64.31 -27.8 72.12 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.016 179.675 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 22.7 tp -57.11 -45.0 83.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.776 0.322 . . . . 0.0 110.461 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.403 ' O ' ' HB2' ' A' ' 63' ' ' LEU . 53.8 t80 -62.2 -39.94 94.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.949 0.404 . . . . 0.0 109.981 179.097 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -42.18 -48.16 4.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.486 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 73.9 t80 -58.18 -37.47 74.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.118 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.403 ' HB2' ' O ' ' A' ' 60' ' ' PHE . 13.2 mt -64.64 -54.29 34.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.972 179.665 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.451 ' HA ' ' CG2' ' A' ' 69' ' ' VAL . . . -54.85 -44.4 73.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.861 0.363 . . . . 0.0 111.179 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.1 tptt -66.43 -55.15 17.08 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.023 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -60.09 -41.88 93.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.069 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -76.78 -26.21 54.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.623 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 75.86 61.93 2.77 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.943 -0.646 . . . . 0.0 113.651 179.04 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.451 ' CG2' ' HA ' ' A' ' 64' ' ' ALA . 0.0 OUTLIER -119.95 -85.18 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 O-C-N 122.829 -0.218 . . . . 0.0 111.155 179.925 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.544 ' O ' ' CB ' ' A' ' 71' ' ' SER . . . -179.14 -24.99 0.04 OUTLIER Glycine 0 CA--C 1.523 0.588 0 C-N-CA 119.557 -1.306 . . . . 0.0 114.655 -179.647 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.544 ' CB ' ' O ' ' A' ' 70' ' ' GLY . 53.9 p 113.17 -28.13 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 124.241 1.016 . . . . 0.0 109.64 -178.549 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -108.46 9.65 27.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.919 179.28 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -94.94 -160.31 33.85 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.541 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -142.83 156.3 44.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.047 0.451 . . . . 0.0 111.696 -179.443 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 11.9 mt -116.32 138.93 50.92 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.531 179.476 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 2.8 p -87.59 169.06 12.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.789 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -55.35 -48.35 74.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.842 0.353 . . . . 0.0 110.965 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -58.76 -31.74 68.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.695 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 23.3 mm-40 -72.37 -43.61 63.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.945 0.402 . . . . 0.0 110.108 179.318 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -50.46 -58.08 6.57 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.597 179.359 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 50.3 mt -54.61 -49.02 70.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.374 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 7.4 mmm180 -57.16 -52.99 63.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.294 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.422 HG22 ' N ' ' A' ' 84' ' ' THR . 14.4 m -70.93 -43.42 76.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.751 0.31 . . . . 0.0 111.555 -179.625 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.422 ' N ' HG22 ' A' ' 83' ' ' VAL . 96.2 m -61.97 -45.45 93.6 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.056 0.455 . . . . 0.0 110.133 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -52.19 -49.01 64.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.648 -0.706 . . . . 0.0 111.218 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.424 ' O ' ' N ' ' A' ' 90' ' ' GLU . 2.6 m120 -59.87 -39.13 84.24 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.029 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.9 mt -58.9 -44.33 91.21 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.066 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 16.4 mt -71.81 -46.64 60.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.327 -179.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -89.13 -73.33 0.51 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.768 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 86' ' ' ASN . 0.3 OUTLIER -63.51 -167.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.621 179.792 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 39.3 mm-40 71.04 151.1 0.1 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.998 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -85.25 159.41 33.79 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.829 -0.7 . . . . 0.0 113.022 -179.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -56.49 -57.2 13.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.982 0.42 . . . . 0.0 111.003 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.15 -12.27 11.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.911 -0.586 . . . . 0.0 112.444 -179.652 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -73.65 -40.45 63.72 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.736 0.303 . . . . 0.0 111.092 -179.678 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -69.61 -41.86 75.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.011 0.434 . . . . 0.0 110.886 179.759 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.401 ' HA ' HD11 ' A' ' 159' ' ' LEU . 1.5 m120 -67.78 -36.03 79.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.809 -179.75 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 2.4 ttt-85 -63.64 -66.1 0.59 Allowed 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 111.93 0.345 . . . . 0.0 111.93 -179.299 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 9.2 p -66.76 -39.57 83.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 112.726 0.639 . . . . 0.0 112.726 -177.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 5.3 tp -88.25 -25.25 22.95 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.187 -0.605 . . . . 0.0 112.279 -177.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.439 ' N ' ' HD2' ' A' ' 102' ' ' PRO . . . -40.41 -58.34 2.49 Favored Glycine 0 CA--C 1.523 0.569 0 C-N-CA 120.909 -0.663 . . . . 0.0 113.115 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . 0.439 ' HD2' ' N ' ' A' ' 101' ' ' GLY . 39.3 Cg_endo -66.59 -10.75 29.06 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.666 2.244 . . . . 0.0 112.6 179.596 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 45.8 t -79.74 -54.78 10.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.987 -179.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 5.2 p -68.25 -36.95 77.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.616 0.722 . . . . 0.0 110.595 179.561 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.83 -59.26 4.85 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.677 -1.147 . . . . 0.0 111.387 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -45.31 -33.74 4.3 Favored Glycine 0 C--N 1.332 0.334 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.674 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 12.9 mt -77.1 -40.38 30.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 120.787 0.327 . . . . 0.0 111.529 -179.572 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 31.0 t -63.97 -29.05 46.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.691 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -71.46 -30.43 66.79 Favored Glycine 0 CA--C 1.518 0.237 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.926 -179.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 1.5 mtp -78.69 -23.76 45.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.678 0.239 . . . . 0.0 111.275 -179.287 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . 0.404 ' HB3' ' CE2' ' A' ' 40' ' ' PHE . 19.0 p -101.04 -20.27 15.45 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 113.181 0.808 . . . . 0.0 113.181 -178.228 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.03 104.16 0.44 Allowed 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.327 -0.549 . . . . 0.0 110.807 -178.683 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.74 -20.65 25.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.03 179.307 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 53.9 p30 -107.03 2.72 25.26 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.434 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . 43.09 65.28 0.99 Allowed 'General case' 0 N--CA 1.461 0.101 0 N-CA-C 111.789 0.292 . . . . 0.0 111.789 179.555 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 55.4 p30 -123.9 -8.77 7.78 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.667 179.44 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 79.45 8.54 87.69 Favored Glycine 0 C--N 1.333 0.395 0 C-N-CA 120.785 -0.721 . . . . 0.0 113.116 179.582 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -121.96 167.18 13.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.977 0.417 . . . . 0.0 111.545 -179.585 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.401 ' O ' ' HB2' ' A' ' 153' ' ' LEU . 42.1 mm -111.0 100.24 10.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.196 -179.434 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . 0.432 ' O ' ' N ' ' A' ' 123' ' ' GLU . 18.4 p30 -87.63 156.58 19.41 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 178.848 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -44.7 -36.41 3.13 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 111.852 0.316 . . . . 0.0 111.852 -178.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -71.47 -30.84 66.47 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.626 0.25 . . . . 0.0 110.365 179.324 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 120' ' ' ASN . 49.0 mt-10 -77.66 -48.92 15.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.264 179.028 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -56.57 -50.88 70.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.709 -179.466 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -54.79 -42.89 72.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.4 -179.444 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -54.89 -31.97 60.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.993 -179.436 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 12.2 t90 -88.73 -36.63 16.04 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 111.696 0.258 . . . . 0.0 111.696 -178.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.9 -41.61 98.1 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.965 0.412 . . . . 0.0 110.537 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' THR . . . . . 0.406 ' HA ' ' O ' ' A' ' 133' ' ' MET . 73.0 p -71.77 -24.11 61.7 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.904 178.687 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -66.47 -38.41 87.25 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.399 179.68 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 18.1 mt -85.91 -2.72 58.54 Favored 'General case' 0 N--CA 1.463 0.188 0 N-CA-C 112.645 0.609 . . . . 0.0 112.645 -178.221 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 108.95 25.35 5.67 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 119.92 -1.133 . . . . 0.0 113.57 179.177 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' MET . . . . . 0.406 ' O ' ' HA ' ' A' ' 129' ' ' THR . 1.7 mmt -102.14 152.98 20.36 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 117.062 0.431 . . . . 0.0 109.954 179.123 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -82.21 160.75 22.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.845 0.355 . . . . 0.0 111.092 -179.773 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.04 -28.74 69.81 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.557 -179.384 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -74.1 -23.88 59.38 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.114 179.65 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -74.74 -41.46 60.08 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.586 -179.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -59.18 -58.02 10.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.825 0.345 . . . . 0.0 110.967 -179.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -49.39 -43.29 44.13 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.111 179.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.67 -48.78 58.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.389 -179.491 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . 0.429 ' HA ' ' HG2' ' A' ' 144' ' ' GLN . . . -64.66 -34.13 77.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.762 -179.228 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -58.57 -59.71 4.96 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.21 0.529 . . . . 0.0 110.8 179.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -56.8 -35.3 68.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.445 -0.798 . . . . 0.0 112.987 -178.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 144' ' ' GLN . . . . . 0.429 ' HG2' ' HA ' ' A' ' 141' ' ' ALA . 6.8 pt20 -69.2 -28.59 66.51 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 111.846 0.313 . . . . 0.0 111.846 -178.764 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . 0.449 ' O ' ' N ' ' A' ' 147' ' ' THR . 33.5 t -84.09 -32.73 8.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -178.631 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.89 78.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.154 0.502 . . . . 0.0 111.297 -179.321 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 147' ' ' THR . . . . . 0.449 ' N ' ' O ' ' A' ' 145' ' ' VAL . 33.3 m -57.5 -35.25 69.97 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.51 -0.768 . . . . 0.0 112.336 179.764 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 25.6 p-10 -95.19 4.99 53.0 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.231 0.456 . . . . 0.0 112.231 -178.283 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 40.78 38.39 1.58 Allowed Glycine 0 C--N 1.334 0.46 0 C-N-CA 121.052 -0.594 . . . . 0.0 113.275 179.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 31.5 p-10 -94.45 -6.59 43.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.546 0.212 . . . . 0.0 111.472 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 89.31 4.09 74.53 Favored Glycine 0 C--N 1.333 0.416 0 C-N-CA 120.761 -0.733 . . . . 0.0 113.501 178.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 83.7 mt-10 -134.59 135.54 42.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 117.344 0.572 . . . . 0.0 111.143 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . 0.401 ' HB2' ' O ' ' A' ' 119' ' ' ILE . 36.0 mt -103.41 102.65 12.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.921 178.755 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.76 168.47 12.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.982 0.42 . . . . 0.0 111.594 -179.138 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 155' ' ' LEU . . . . . 0.427 ' O ' ' HG ' ' A' ' 159' ' ' LEU . 0.6 OUTLIER -48.08 -43.72 30.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.916 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -56.18 -55.75 29.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.627 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -62.75 -19.85 64.37 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.016 -0.538 . . . . 0.0 112.222 -178.67 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 5.6 mt -76.29 -62.52 1.58 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.797 179.059 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . 0.427 ' HG ' ' O ' ' A' ' 155' ' ' LEU . 0.9 OUTLIER . . . . . 0 N--CA 1.469 0.525 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.427 -179.127 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 27.3 mm . . . . . 0 N--CA 1.457 -0.121 0 CA-C-O 121.106 0.479 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.39 -37.14 86.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.772 -179.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.1 t -58.08 -57.67 11.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.34 -179.534 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -49.07 -49.76 40.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.843 -179.614 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.79 -46.28 91.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.712 -178.733 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.426 HD23 HG23 ' A' ' 84' ' ' THR . 2.5 mt -77.21 -30.38 54.64 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 111.952 0.353 . . . . 0.0 111.952 -178.754 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.77 -47.11 87.78 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.665 0.269 . . . . 0.0 111.454 -179.394 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.1 mttp -65.2 -46.47 80.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.793 -179.629 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.38 -26.26 1.99 Allowed 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 121.016 0.436 . . . . 0.0 110.833 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 43.1 t80 -71.43 -65.75 0.71 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.806 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -70.18 -21.15 63.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.214 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -73.57 -15.23 61.29 Favored 'General case' 0 N--CA 1.465 0.275 0 N-CA-C 111.737 0.273 . . . . 0.0 111.737 -179.713 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 11.6 m95 -115.65 18.08 15.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.77 0.319 . . . . 0.0 110.975 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.71 82.15 5.86 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-O 121.088 0.47 . . . . 0.0 110.71 179.593 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.444 ' CZ ' ' HB3' ' A' ' 31' ' ' LYS . 0.2 OUTLIER -53.11 -50.66 64.01 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.456 -179.308 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.441 ' OD1' ' N ' ' A' ' 19' ' ' ASP . 3.4 p30 -99.65 -12.82 19.7 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 111.922 0.342 . . . . 0.0 111.922 -179.528 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 74.15 45.95 23.51 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.229 -0.986 . . . . 0.0 112.098 -179.51 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 18.1 p-10 -92.73 -9.66 39.87 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 111.694 0.257 . . . . 0.0 111.694 -179.663 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 83.85 21.44 57.6 Favored Glycine 0 C--N 1.332 0.316 0 C-N-CA 120.472 -0.87 . . . . 0.0 112.933 179.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -157.13 179.72 9.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.61 0.243 . . . . 0.0 110.705 179.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.2 mt -118.32 119.73 35.51 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.803 0.335 . . . . 0.0 110.603 179.245 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -116.32 170.25 8.68 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.995 0.426 . . . . 0.0 110.373 179.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -69.34 -37.96 77.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.57 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.05 -19.92 35.2 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.13 179.632 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -72.03 -27.03 62.44 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.498 179.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -76.82 -39.44 51.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.805 0.336 . . . . 0.0 110.727 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -63.5 -40.78 97.98 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.369 179.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.444 ' HB3' ' CZ ' ' A' ' 18' ' ' PHE . 0.0 OUTLIER -67.01 -45.46 77.47 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.939 0.4 . . . . 0.0 110.044 179.33 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.408 ' O ' HG13 ' A' ' 36' ' ' ILE . 0.9 OUTLIER -51.8 -59.47 4.27 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 178.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -43.47 -50.85 6.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.082 178.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -62.97 -49.68 73.76 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.457 179.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -54.95 -23.92 21.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.538 179.797 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.408 HG13 ' O ' ' A' ' 32' ' ' GLU . 75.6 mt -83.5 -53.79 10.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.663 179.701 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -45.54 -42.27 10.71 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.884 0.373 . . . . 0.0 111.449 179.53 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -61.54 -39.35 90.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.149 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -58.25 -24.25 58.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.809 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 -92.47 3.72 54.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.466 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 67.41 11.75 60.01 Favored Glycine 0 C--N 1.333 0.371 0 C-N-CA 120.864 -0.684 . . . . 0.0 113.087 179.615 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -89.1 162.61 15.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.862 0.331 . . . . 0.0 110.61 179.723 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -72.63 131.15 42.06 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.284 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.32 -14.74 63.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.246 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -103.65 14.47 53.53 Favored Glycine 0 C--N 1.332 0.326 0 C-N-CA 120.518 -0.849 . . . . 0.0 113.415 -179.277 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.402 ' O ' ' HG3' ' A' ' 50' ' ' GLN . . . -71.03 -168.41 0.28 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.765 0.316 . . . . 0.0 110.827 179.135 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -91.55 -46.7 7.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.673 179.438 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.403 ' HG2' ' HG3' ' A' ' 110' ' ' MET . 0.0 OUTLIER -60.08 -27.34 66.91 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.039 -0.528 . . . . 0.0 112.135 -179.149 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 1.6 t -77.05 -41.88 31.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 C-N-CA 120.704 -0.398 . . . . 0.0 110.162 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.402 ' HG3' ' O ' ' A' ' 46' ' ' ALA . 0.3 OUTLIER -61.54 -41.52 97.46 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 178.788 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 95.0 m -56.87 -58.07 9.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.374 179.302 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 11.0 tp -49.79 -58.73 4.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.419 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -49.94 -40.89 45.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.714 0.292 . . . . 0.0 110.422 179.557 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -56.56 -42.73 79.05 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.652 179.643 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.71 -53.56 17.92 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.019 0.438 . . . . 0.0 110.674 179.074 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -47.77 -31.54 4.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.927 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -63.7 -50.41 61.72 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.368 179.534 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -61.23 -28.78 69.74 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.978 -0.629 . . . . 0.0 112.775 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -58.97 -40.44 84.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.596 0.198 . . . . 0.0 111.213 -179.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -59.88 -39.24 84.65 Favored 'General case' 0 C--N 1.333 -0.11 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 179.038 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -42.55 -44.8 4.29 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 121.14 0.495 . . . . 0.0 110.942 179.18 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.468 ' CE2' ' OE2' ' A' ' 66' ' ' GLU . 40.3 t80 -59.93 -38.66 83.05 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.952 179.788 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 33.0 mt -65.81 -58.31 5.91 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.344 -179.463 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.408 ' O ' ' N ' ' A' ' 68' ' ' GLY . . . -55.74 -43.72 76.9 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.675 0.274 . . . . 0.0 111.46 -179.489 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.35 -56.64 10.13 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.17 0.509 . . . . 0.0 110.741 179.747 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.468 ' OE2' ' CE2' ' A' ' 62' ' ' TYR . 0.5 OUTLIER -60.5 -42.5 96.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.546 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -75.31 -27.82 59.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.04 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 64' ' ' ALA . . . 78.01 51.89 5.59 Favored Glycine 0 N--CA 1.45 -0.384 0 CA-C-N 115.71 -0.677 . . . . 0.0 113.261 179.106 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 49.1 t -122.59 -79.29 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.561 0.22 . . . . 0.0 111.298 -179.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 164.71 159.98 11.76 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.57 -0.824 . . . . 0.0 112.37 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.83 -20.35 63.56 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.6 0.238 . . . . 0.0 111.077 179.072 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -115.02 12.04 16.62 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.74 -179.726 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -94.58 -165.2 35.98 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.297 -0.954 . . . . 0.0 113.102 -179.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -142.22 154.69 44.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.953 0.406 . . . . 0.0 111.199 -179.521 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -116.79 138.82 51.22 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.711 178.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 15.7 p -83.16 -170.87 3.25 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.731 0.301 . . . . 0.0 110.861 -179.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -75.82 -52.79 9.62 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.097 0.475 . . . . 0.0 110.699 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -56.31 -31.86 64.09 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.793 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 2.4 mm100 -71.61 -46.07 60.26 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.014 0.435 . . . . 0.0 110.689 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 24.6 t80 -50.64 -54.76 20.36 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.069 179.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 5.5 mt -54.85 -57.4 6.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.58 -0.736 . . . . 0.0 112.027 -179.463 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -52.25 -53.39 44.46 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.821 0.343 . . . . 0.0 111.197 -179.119 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 4.2 t -67.82 -43.42 86.2 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.226 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.43 -179.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.426 HG23 HD23 ' A' ' 9' ' ' LEU . 97.3 m -61.59 -43.48 98.78 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 179.759 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -47.84 -50.13 27.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.014 179.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -61.15 -35.75 77.92 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.044 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.72 -49.18 78.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.953 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 21.5 mm -75.04 -36.86 39.52 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-O 120.902 0.382 . . . . 0.0 111.091 179.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -88.9 -83.36 0.23 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.213 179.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.406 ' O ' ' HB2' ' A' ' 91' ' ' GLN . 0.0 OUTLIER -61.0 -155.67 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.504 179.656 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.406 ' HB2' ' O ' ' A' ' 90' ' ' GLU . 71.5 mm-40 66.83 150.94 0.06 Allowed 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.528 -179.774 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -85.77 155.07 28.76 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.613 -0.803 . . . . 0.0 113.636 -178.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -51.77 -57.19 9.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.207 0.527 . . . . 0.0 110.207 179.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.83 -12.76 18.96 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.92 179.519 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.5 t -72.42 -42.33 65.24 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.864 0.364 . . . . 0.0 110.61 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -67.62 -44.32 78.29 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.92 179.501 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -67.32 -38.8 85.52 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.437 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 37.1 mtt180 -63.58 -61.69 2.16 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.585 -179.148 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 9.3 p -71.26 -39.38 72.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 N-CA-C 112.472 0.545 . . . . 0.0 112.472 -177.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 2.6 tp -85.9 -26.32 25.66 Favored 'General case' 0 C--N 1.32 -0.706 0 C-N-CA 119.923 -0.711 . . . . 0.0 111.575 -177.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.429 ' N ' ' HD2' ' A' ' 102' ' ' PRO . . . -40.32 -56.98 2.74 Favored Glycine 0 CA--C 1.522 0.521 0 C-N-CA 120.999 -0.619 . . . . 0.0 112.818 179.354 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . 0.429 ' HD2' ' N ' ' A' ' 101' ' ' GLY . 60.0 Cg_endo -69.18 -11.46 31.65 Favored 'Trans proline' 0 CA--C 1.53 0.3 0 C-N-CA 122.549 2.166 . . . . 0.0 112.72 179.594 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 89.7 t -79.66 -54.9 10.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.793 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 94.0 t -68.19 -32.52 56.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 121.158 0.504 . . . . 0.0 110.239 178.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.421 ' HG3' ' O ' ' A' ' 101' ' ' GLY . 9.6 mttm -55.31 -52.28 63.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.58 179.414 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -48.96 -37.36 22.19 Favored Glycine 0 N--CA 1.451 -0.363 0 CA-C-N 115.872 -0.604 . . . . 0.0 112.569 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.441 HG22 ' CZ2' ' A' ' 127' ' ' TRP . 18.7 mm -72.64 -39.11 60.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.714 0.292 . . . . 0.0 110.98 179.641 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.415 ' O ' ' N ' ' A' ' 112' ' ' ASP . 12.8 t -64.79 -36.85 78.65 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.228 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -63.19 -38.35 96.37 Favored Glycine 0 C--N 1.33 0.234 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.871 -179.395 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' MET . . . . . 0.403 ' HG3' ' HG2' ' A' ' 48' ' ' GLU . 45.9 mtp -78.53 -24.56 45.65 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.649 0.261 . . . . 0.0 110.654 -179.799 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 42.2 t -98.31 -25.02 14.98 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 113.104 0.779 . . . . 0.0 113.104 -178.053 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . 0.415 ' N ' ' O ' ' A' ' 108' ' ' VAL . 21.7 m-20 -61.35 103.37 0.3 Allowed 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.274 -0.57 . . . . 0.0 110.853 -177.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.09 -20.92 26.41 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.978 179.516 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 20.0 p30 -106.56 -2.0 22.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.517 -0.311 . . . . 0.0 111.317 179.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . 49.51 57.24 6.72 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 111.679 0.251 . . . . 0.0 111.679 179.603 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 38.6 p-10 -116.25 -7.91 11.75 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.965 -0.294 . . . . 0.0 111.36 178.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 79.29 9.64 86.79 Favored Glycine 0 C--N 1.336 0.574 0 C-N-CA 120.861 -0.685 . . . . 0.0 113.159 179.401 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 30.6 mt-30 -124.2 168.65 12.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.891 0.376 . . . . 0.0 111.16 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 27.9 mm -108.5 100.88 11.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.819 -179.396 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -83.51 159.95 21.59 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 179.193 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -52.13 -37.53 54.61 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.92 -0.312 . . . . 0.0 111.197 -178.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -72.16 -23.47 61.29 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 178.631 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -83.12 -49.87 9.05 Favored 'General case' 0 C--O 1.232 0.159 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 178.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -56.29 -49.75 73.35 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.792 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . 0.402 ' HA ' ' HB3' ' A' ' 138' ' ' ALA . . . -57.55 -43.59 84.56 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.092 179.784 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -57.85 -37.12 73.31 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.933 -179.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' TRP . . . . . 0.441 ' CZ2' HG22 ' A' ' 107' ' ' ILE . 13.3 t90 -82.51 -42.31 18.58 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 111.816 0.302 . . . . 0.0 111.816 -178.66 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.419 ' CD1' ' HA ' ' A' ' 138' ' ' ALA . 31.8 mt -59.18 -38.32 79.52 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.935 0.398 . . . . 0.0 110.548 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 49.9 p -70.32 -24.85 63.07 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.113 179.467 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -66.57 -37.99 86.12 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.739 179.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 31.5 mt -84.15 1.63 43.45 Favored 'General case' 0 N--CA 1.463 0.198 0 N-CA-C 112.908 0.707 . . . . 0.0 112.908 -177.511 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 105.12 19.95 10.23 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 119.924 -1.131 . . . . 0.0 113.681 178.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' MET . . . . . . . . . . . . . 4.8 mmt -96.87 155.89 16.58 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 178.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.56 172.12 14.16 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.092 0.472 . . . . 0.0 111.737 -179.015 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 4.4 mttm -77.63 -26.74 50.78 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.856 -179.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -81.13 -29.69 34.71 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 111.896 0.332 . . . . 0.0 111.896 -179.542 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.26 -38.62 71.86 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.397 -179.419 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . 0.419 ' HA ' ' CD1' ' A' ' 128' ' ' LEU . . . -59.73 -54.57 44.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.819 0.342 . . . . 0.0 110.617 -179.817 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -47.32 -44.16 23.4 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.953 179.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -70.88 -44.66 65.85 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.149 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -63.83 -39.94 95.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.841 -0.618 . . . . 0.0 112.025 -179.134 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 142' ' ' PHE . . . . . 0.457 ' CE1' ' HG ' ' A' ' 153' ' ' LEU . 76.0 t80 -54.59 -58.37 7.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.919 0.39 . . . . 0.0 110.655 179.437 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -56.56 -33.69 66.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.823 -179.69 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -65.55 -36.96 85.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.056 -0.52 . . . . 0.0 112.284 -178.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . 0.491 ' O ' ' N ' ' A' ' 147' ' ' THR . 33.3 t -82.57 -28.74 8.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -178.129 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -61.26 77.79 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.266 0 CA-C-O 121.325 0.583 . . . . 0.0 111.022 -179.276 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 147' ' ' THR . . . . . 0.491 ' N ' ' O ' ' A' ' 145' ' ' VAL . 90.0 m -56.39 -38.16 71.1 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.346 -0.843 . . . . 0.0 112.368 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 54.3 p30 -92.66 6.72 46.37 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.805 -178.584 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 39.0 36.43 0.49 Allowed Glycine 0 C--N 1.336 0.552 0 C-N-CA 121.317 -0.468 . . . . 0.0 113.643 179.242 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 48.2 p-10 -93.63 -4.36 50.88 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.638 0.256 . . . . 0.0 111.337 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 89.65 3.0 75.02 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.51 -0.852 . . . . 0.0 113.268 179.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -132.39 133.57 44.08 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 117.471 0.635 . . . . 0.0 110.225 179.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . 0.457 ' HG ' ' CE1' ' A' ' 142' ' ' PHE . 24.8 mt -98.22 105.53 17.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.601 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 3.8 t -91.06 163.19 14.39 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.312 0.577 . . . . 0.0 112.514 -178.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 155' ' ' LEU . . . . . 0.402 ' HA ' HD11 ' A' ' 158' ' ' LEU . 0.2 OUTLIER -48.88 -43.38 38.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.179 -0.919 . . . . 0.0 111.361 179.768 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -56.67 -59.53 4.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.347 -179.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -64.05 -18.05 63.97 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.983 -179.068 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 158' ' ' LEU . . . . . 0.402 HD11 ' HA ' ' A' ' 155' ' ' LEU . 0.2 OUTLIER -70.56 -53.71 14.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.028 179.79 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.017 -179.38 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 13.1 mt . . . . . 0 N--CA 1.457 -0.102 0 CA-C-O 121.033 0.444 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.62 -38.12 89.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.796 -0.638 . . . . 0.0 112.253 -179.258 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.6 m -60.94 -56.0 26.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.741 0.305 . . . . 0.0 111.109 -179.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.94 -49.92 37.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.495 -179.509 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.26 -43.27 99.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.436 -179.044 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -77.34 -32.91 55.5 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 111.872 0.323 . . . . 0.0 111.872 -178.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.68 -63.72 1.17 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.928 0.394 . . . . 0.0 111.081 -179.796 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.417 ' O ' ' N ' ' A' ' 15' ' ' ARG . 0.2 OUTLIER -50.17 -47.49 54.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.218 -179.646 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.29 -29.78 4.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.785 0.326 . . . . 0.0 111.337 -179.745 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -73.12 -63.85 1.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.708 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 -68.82 -12.6 61.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.092 179.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.417 ' N ' ' O ' ' A' ' 11' ' ' LYS . 0.1 OUTLIER -71.4 -18.22 62.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.566 0.222 . . . . 0.0 111.178 -179.537 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 3.0 m95 -103.75 -91.66 0.36 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.647 -0.251 . . . . 0.0 111.095 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 41.68 75.84 0.08 Allowed 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 121.084 0.468 . . . . 0.0 111.465 -179.784 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.477 ' CE1' ' HB3' ' A' ' 31' ' ' LYS . 1.2 m-85 -54.46 -50.87 66.68 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.557 -179.05 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 22.3 p-10 -98.5 -12.3 21.41 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 -179.285 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 78.09 40.27 21.13 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.444 -0.884 . . . . 0.0 112.554 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.406 ' OD1' ' N ' ' A' ' 21' ' ' ASN . 9.0 p-10 -89.66 -12.39 39.72 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.723 0.261 . . . . 0.0 111.387 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 84.17 22.32 54.95 Favored Glycine 0 C--N 1.332 0.348 0 C-N-CA 120.627 -0.797 . . . . 0.0 112.687 179.529 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -155.37 178.92 9.67 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.713 0.292 . . . . 0.0 110.403 179.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 12.7 tp -117.44 128.12 54.69 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.66 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 71.9 mt-10 -126.89 172.79 10.12 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.367 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.81 -33.42 74.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.806 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.01 -21.29 66.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.948 179.442 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.16 -28.99 63.59 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.088 179.465 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -78.59 -36.14 44.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.339 179.514 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -66.33 -38.74 88.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.663 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.477 ' HB3' ' CE1' ' A' ' 18' ' ' PHE . 4.9 mttm -67.44 -43.62 80.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.907 0.384 . . . . 0.0 110.544 179.656 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.404 ' O ' HG13 ' A' ' 36' ' ' ILE . 2.9 tt0 -49.06 -64.92 0.67 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.138 179.744 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -43.6 -46.55 7.25 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.202 0.525 . . . . 0.0 110.858 179.082 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -64.24 -54.79 27.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.786 179.615 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -52.51 -34.36 49.32 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.791 0.329 . . . . 0.0 110.518 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.404 HG13 ' O ' ' A' ' 32' ' ' GLU . 84.3 mt -71.14 -55.51 13.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.576 179.358 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -42.56 -42.23 3.3 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.725 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -58.6 -40.9 84.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.553 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -57.04 -21.47 31.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.397 -179.542 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.405 ' CZ ' ' HA ' ' A' ' 127' ' ' TRP . 26.3 m-85 -92.63 1.8 57.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.68 -0.236 . . . . 0.0 111.375 179.651 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 53.54 19.64 9.77 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.826 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.7 tttt -92.55 -152.52 0.32 Allowed 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 179.564 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.423 ' HB2' ' HB1' ' A' ' 46' ' ' ALA . 8.3 m-20 -69.18 -166.97 0.1 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.074 0.464 . . . . 0.0 111.886 -178.578 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.403 ' O ' HG13 ' A' ' 49' ' ' VAL . . . -140.21 -59.25 0.54 Allowed 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 178.386 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -92.87 27.04 11.78 Favored Glycine 0 N--CA 1.45 -0.404 0 CA-C-N 114.905 -1.043 . . . . 0.0 111.969 179.54 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.423 ' HB1' ' HB2' ' A' ' 43' ' ' ASP . . . -68.25 -166.15 0.06 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.828 0.347 . . . . 0.0 110.943 179.092 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -89.52 -47.99 7.61 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.034 179.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -57.5 -28.33 63.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.447 -179.129 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.403 HG13 ' O ' ' A' ' 44' ' ' ALA . 7.3 p -77.32 -42.24 30.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.691 179.732 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.401 ' O ' ' HB2' ' A' ' 54' ' ' ASN . 1.0 OUTLIER -61.4 -42.91 99.47 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 178.713 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 15.7 m -58.57 -54.99 40.86 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.947 -0.569 . . . . 0.0 109.746 178.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 11.2 tp -50.8 -62.49 1.57 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.192 179.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.48 -42.0 61.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.716 179.52 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.401 ' HB2' ' O ' ' A' ' 50' ' ' GLN . 6.5 t-20 -56.39 -41.4 76.22 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.925 0.393 . . . . 0.0 110.174 179.808 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.42 -32.51 72.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.046 179.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -67.11 -31.86 72.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.82 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -64.75 -48.06 76.49 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.185 179.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -58.69 -34.96 79.25 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.623 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.9 tp -56.28 -32.34 64.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.892 0.377 . . . . 0.0 110.023 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -63.02 -44.76 95.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.398 179.167 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -43.16 -50.62 6.26 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.525 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -58.35 -41.34 84.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.12 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.415 HD21 HD23 ' A' ' 75' ' ' LEU . 23.3 mt -64.8 -57.57 8.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.188 -179.413 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -54.18 -45.44 72.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.574 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 9.9 tttp -65.72 -51.72 56.99 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.856 0.36 . . . . 0.0 110.969 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -62.53 -40.61 97.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.112 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -77.13 -26.82 53.56 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.804 0.335 . . . . 0.0 111.601 -179.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 103.62 0.24 46.21 Favored Glycine 0 CA--C 1.52 0.35 0 C-N-CA 120.525 -0.845 . . . . 0.0 114.154 178.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 26.9 m -101.44 174.09 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 117.277 0.538 . . . . 0.0 110.067 179.345 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -86.73 179.27 48.87 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.689 -0.767 . . . . 0.0 113.845 -178.479 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 16.2 m -65.12 -13.07 57.18 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.249 -0.476 . . . . 0.0 110.962 178.158 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -113.02 12.58 19.27 Favored 'General case' 0 N--CA 1.462 0.146 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 -179.401 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -93.21 -164.53 37.49 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.344 -0.931 . . . . 0.0 112.307 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -141.58 154.41 45.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.155 0.502 . . . . 0.0 111.804 -179.232 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.457 HD11 ' N ' ' A' ' 75' ' ' LEU . 3.4 mp -116.04 138.74 50.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.357 179.559 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 6.7 p -86.65 -173.82 4.68 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.676 179.64 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -72.65 -48.74 36.81 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.991 0.424 . . . . 0.0 110.742 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -58.04 -32.77 68.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.878 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -72.46 -43.12 64.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.978 0.418 . . . . 0.0 110.255 179.389 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -49.96 -55.7 13.55 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.727 179.479 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 71.9 mt -54.54 -52.13 43.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.312 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.15 -55.32 32.53 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.011 -0.541 . . . . 0.0 112.007 -178.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 11.9 t -71.74 -40.96 70.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 N-CA-C 111.752 0.279 . . . . 0.0 111.752 -179.258 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 94.6 m -62.27 -45.09 94.84 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.937 0.398 . . . . 0.0 110.48 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -50.96 -49.14 60.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.296 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 29.0 m-80 -59.06 -37.54 77.27 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.137 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.9 mt -59.69 -45.46 92.03 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.218 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 16.8 mm -73.11 -42.47 58.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.444 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -89.95 -75.0 0.46 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.775 0.321 . . . . 0.0 111.184 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -64.1 -161.97 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.019 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 71.07 -83.48 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.396 -179.617 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 127.55 172.27 13.21 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.253 -0.975 . . . . 0.0 113.04 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -55.31 -58.84 6.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.124 0.487 . . . . 0.0 111.032 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.415 ' O ' ' HB2' ' A' ' 98' ' ' ARG . . . -59.78 -16.86 31.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.562 -0.745 . . . . 0.0 112.209 -179.326 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 60.5 m -79.63 -44.94 20.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.974 0.416 . . . . 0.0 110.806 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -71.31 -38.79 71.72 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.139 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -68.8 -35.2 76.72 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.9 -0.591 . . . . 0.0 112.016 -179.6 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.415 ' HB2' ' O ' ' A' ' 94' ' ' ALA . 0.3 OUTLIER -63.05 -66.81 0.49 Allowed 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.064 0.394 . . . . 0.0 112.064 -179.045 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 46.7 t -69.2 -35.88 70.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 112.683 0.623 . . . . 0.0 112.683 -178.071 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 8.3 tp -89.1 -26.47 21.34 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 119.815 -0.754 . . . . 0.0 111.948 -178.166 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.456 ' N ' ' HD2' ' A' ' 102' ' ' PRO . . . -42.25 -53.83 4.77 Favored Glycine 0 CA--C 1.522 0.51 0 C-N-CA 120.926 -0.654 . . . . 0.0 112.987 179.488 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . 0.456 ' HD2' ' N ' ' A' ' 101' ' ' GLY . 57.1 Cg_endo -70.52 -14.02 33.28 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.649 2.233 . . . . 0.0 112.081 179.596 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 41.4 t -78.39 -49.32 21.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.724 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 10.4 t -70.54 -31.99 48.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.174 0.511 . . . . 0.0 110.3 179.305 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.24 -50.59 72.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.763 179.264 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -51.35 -39.99 44.87 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.246 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 24.4 mt -72.76 -41.0 61.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.761 0.315 . . . . 0.0 111.058 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 76.0 t -63.08 -36.18 74.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.119 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -51.79 -46.65 54.4 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.354 -0.927 . . . . 0.0 112.293 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 23.3 mtm -78.14 -19.4 54.1 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.455 0.169 . . . . 0.0 111.402 -179.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 34.9 t -92.6 44.72 1.16 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.866 0.365 . . . . 0.0 111.713 -178.556 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 54.5 t0 -165.98 108.64 0.77 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.687 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 3.0 mtmt -93.07 -4.33 52.61 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 115.527 -0.76 . . . . 0.0 111.196 178.41 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -102.73 -17.68 15.51 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-O 120.706 0.289 . . . . 0.0 110.929 179.593 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . 68.68 62.94 0.33 Allowed 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 112.265 0.469 . . . . 0.0 112.265 178.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -119.82 -13.8 9.04 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 121.019 -0.272 . . . . 0.0 111.613 179.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 80.54 9.41 86.48 Favored Glycine 0 CA--C 1.519 0.298 0 C-N-CA 120.714 -0.755 . . . . 0.0 113.112 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 15.0 mm-40 -122.92 164.32 18.7 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-O 121.092 0.472 . . . . 0.0 111.459 -179.714 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.405 ' HB ' ' HB2' ' A' ' 153' ' ' LEU . 19.7 mm -109.89 100.9 11.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.15 -179.481 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . 0.414 ' O ' ' N ' ' A' ' 123' ' ' GLU . 6.5 m120 -86.73 157.51 19.62 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 110.106 -0.331 . . . . 0.0 110.106 179.436 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -47.87 -38.69 16.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.672 -179.032 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -70.48 -26.75 63.76 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 179.23 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 120' ' ' ASN . 20.7 mt-10 -85.76 -47.53 9.66 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 178.62 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -54.82 -51.43 65.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.811 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -58.48 -40.47 82.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.816 179.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -54.83 -33.34 61.57 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.297 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' TRP . . . . . 0.405 ' HA ' ' CZ ' ' A' ' 40' ' ' PHE . 18.6 t90 -88.18 -36.91 16.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.642 -0.254 . . . . 0.0 111.547 -178.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.28 -42.0 98.96 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.072 0.463 . . . . 0.0 110.156 179.806 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' THR . . . . . 0.4 ' HA ' ' O ' ' A' ' 133' ' ' MET . 70.8 p -72.35 -22.62 61.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.296 178.686 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . 0.401 ' HB1' ' O ' ' A' ' 127' ' ' TRP . . . -67.84 -38.47 83.22 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.315 179.601 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 9.4 mt -85.54 -0.19 54.28 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 112.524 0.565 . . . . 0.0 112.524 -178.235 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 108.59 22.53 6.99 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 119.93 -1.129 . . . . 0.0 113.921 179.09 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' MET . . . . . 0.4 ' O ' ' HA ' ' A' ' 129' ' ' THR . 8.0 mmt -99.17 155.35 17.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 117.361 0.58 . . . . 0.0 109.823 178.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 54.5 m -81.48 161.69 23.55 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.756 0.312 . . . . 0.0 110.95 -179.551 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -66.96 -21.99 65.95 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.952 -179.174 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -83.64 -30.04 27.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.639 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.65 -35.22 70.3 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.396 -179.558 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -59.56 -56.86 16.66 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.027 0.441 . . . . 0.0 110.413 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -47.61 -41.85 22.83 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.414 179.392 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -70.26 -48.23 57.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.752 -179.456 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -63.48 -36.16 82.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.937 0.398 . . . . 0.0 111.719 -179.378 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 83.1 t80 -54.85 -60.74 2.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.823 179.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 20.8 m-20 -55.67 -35.44 66.0 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.535 -0.757 . . . . 0.0 112.215 -179.184 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -66.78 -32.36 73.59 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 -179.071 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . 0.433 ' O ' ' N ' ' A' ' 147' ' ' THR . 3.5 t -85.02 -35.8 10.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 112.838 0.681 . . . . 0.0 112.838 -178.131 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.81 79.91 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.265 0.555 . . . . 0.0 111.311 -179.251 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 147' ' ' THR . . . . . 0.433 ' N ' ' O ' ' A' ' 145' ' ' VAL . 0.2 OUTLIER -56.85 -31.62 64.98 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.27 -0.877 . . . . 0.0 112.668 179.598 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -95.88 6.6 48.5 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.41 0.522 . . . . 0.0 112.41 -178.082 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 40.23 29.07 0.19 Allowed Glycine 0 C--N 1.332 0.359 0 C-N-CA 120.986 -0.626 . . . . 0.0 113.195 179.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 45.4 p-10 -88.88 -4.22 58.53 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.633 0.254 . . . . 0.0 111.176 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 87.31 6.04 78.69 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.641 -0.79 . . . . 0.0 113.489 179.097 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -135.36 134.92 40.27 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 117.627 0.713 . . . . 0.0 110.792 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . 0.405 ' HB2' ' HB ' ' A' ' 119' ' ' ILE . 56.2 mt -101.02 105.63 16.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.291 179.016 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 27.0 t -88.35 165.84 14.69 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.706 -179.1 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 155' ' ' LEU . . . . . 0.411 ' HA ' HD11 ' A' ' 158' ' ' LEU . 81.6 mt -48.23 -44.35 33.05 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.71 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -57.35 -51.55 68.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.244 0.545 . . . . 0.0 110.831 179.475 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -64.98 -15.03 61.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.41 -0.814 . . . . 0.0 112.472 -178.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 158' ' ' LEU . . . . . 0.411 HD11 ' HA ' ' A' ' 155' ' ' LEU . 0.2 OUTLIER -75.54 -39.53 58.13 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.173 179.553 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.463 0.206 0 CA-C-O 120.899 0.381 . . . . 0.0 110.643 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.3 mt . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.938 0.399 . . . . 0.0 111.667 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.61 -34.69 78.38 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.975 -179.223 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -57.81 -46.7 84.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.824 0.345 . . . . 0.0 111.048 -179.603 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.44 -46.71 89.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.561 -179.719 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -60.9 -48.75 80.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.594 -179.061 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 47.8 mt -77.49 -29.72 52.71 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 121.043 -0.263 . . . . 0.0 111.514 -179.264 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.95 -50.86 72.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.809 0.338 . . . . 0.0 111.015 -179.287 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.434 ' O ' ' N ' ' A' ' 15' ' ' ARG . 42.6 mttm -62.61 -44.99 94.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.05 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.01 -28.53 2.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.779 0.323 . . . . 0.0 111.331 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -74.54 -61.96 1.69 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.909 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -68.17 -21.42 64.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.902 0.382 . . . . 0.0 110.575 179.479 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.434 ' N ' ' O ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -75.42 -16.54 60.33 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.48 -179.74 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 2.2 m0 -111.18 18.14 19.64 Favored 'General case' 0 C--N 1.333 -0.135 0 N-CA-C 112.11 0.411 . . . . 0.0 112.11 -179.157 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -80.36 81.01 6.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.917 0.389 . . . . 0.0 110.773 179.646 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -54.77 -51.99 63.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.551 -179.239 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.405 ' OD1' ' N ' ' A' ' 19' ' ' ASP . 7.8 p-10 -96.57 -12.75 23.59 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.548 0.213 . . . . 0.0 111.466 -179.603 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.36 43.03 21.39 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.535 -0.84 . . . . 0.0 111.899 -179.577 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.413 ' OD1' ' N ' ' A' ' 21' ' ' ASN . 9.1 p-10 -92.22 -11.58 35.02 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 111.6 0.222 . . . . 0.0 111.6 -179.543 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 83.66 21.0 58.85 Favored Glycine 0 C--N 1.331 0.295 0 C-N-CA 120.551 -0.833 . . . . 0.0 112.326 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -155.28 178.36 10.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.716 0.293 . . . . 0.0 110.676 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 19.7 mt -118.65 124.09 46.54 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.783 179.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -119.48 173.47 6.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.042 0.449 . . . . 0.0 110.393 179.607 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 32.8 ttp180 -69.59 -32.51 71.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.052 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.29 -18.82 65.58 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.048 179.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.3 -31.46 67.48 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 179.318 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -78.91 -41.33 29.84 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.217 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -61.99 -39.75 93.28 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 179.545 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.36 -42.18 88.43 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.106 0.479 . . . . 0.0 109.846 179.08 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.4 ' O ' HG12 ' A' ' 36' ' ' ILE . 1.3 tt0 -52.04 -63.01 1.28 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.139 179.409 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -44.39 -49.23 9.75 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.88 0.371 . . . . 0.0 111.265 179.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -62.35 -49.5 75.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.421 179.807 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 17.2 t60 -54.26 -23.97 16.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.905 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.4 HG12 ' O ' ' A' ' 32' ' ' GLU . 14.2 mm -82.92 -50.93 15.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.016 179.79 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -46.27 -43.75 15.91 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 120.935 0.398 . . . . 0.0 111.124 179.56 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -61.02 -41.96 97.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.398 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.58 -29.34 69.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.79 0.329 . . . . 0.0 110.846 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.426 ' CE2' ' SG ' ' A' ' 111' ' ' CYS . 2.3 m-85 -91.82 4.9 51.82 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.62 -179.772 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 70.35 20.61 76.96 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.365 -0.922 . . . . 0.0 111.982 -179.282 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -88.73 -179.2 5.95 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.113 0.482 . . . . 0.0 111.248 -179.461 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.446 ' CB ' ' HB1' ' A' ' 46' ' ' ALA . 0.4 OUTLIER -70.53 -154.9 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.971 -179.666 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -138.62 -61.69 0.58 Allowed 'General case' 0 N--CA 1.456 -0.174 0 N-CA-C 108.415 -0.958 . . . . 0.0 108.415 178.043 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -96.76 23.06 37.09 Favored Glycine 0 N--CA 1.451 -0.334 0 CA-C-N 115.105 -0.952 . . . . 0.0 112.206 179.317 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.446 ' HB1' ' CB ' ' A' ' 43' ' ' ASP . . . -73.16 -166.12 0.29 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 117.068 0.434 . . . . 0.0 111.117 179.296 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -83.14 -55.39 4.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.901 0.381 . . . . 0.0 110.067 178.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -50.79 -42.31 57.89 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.698 -179.412 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 20.4 t -77.07 -39.05 28.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 110.148 -0.316 . . . . 0.0 110.148 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.16 -40.93 95.72 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 178.479 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.2 m -58.1 -57.64 11.95 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.411 179.178 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 13.1 tp -51.2 -58.27 6.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.31 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.84 -40.52 56.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.765 -0.198 . . . . 0.0 110.776 179.717 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 49.2 t-20 -57.75 -40.4 79.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.999 0.428 . . . . 0.0 110.041 179.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.93 -46.28 68.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.528 179.227 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -54.53 -32.32 57.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.719 179.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -62.39 -51.5 55.91 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.545 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -63.14 -26.81 69.63 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.48 -0.866 . . . . 0.0 112.401 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 7.8 tt -58.31 -42.56 86.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.868 0.366 . . . . 0.0 110.521 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 31.5 t80 -60.97 -40.19 92.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.135 179.349 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -42.91 -49.3 5.92 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.254 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.466 ' CE1' ' HG3' ' A' ' 66' ' ' GLU . 4.6 t80 -59.66 -36.43 76.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.637 179.703 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 74.2 mt -65.12 -54.67 26.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.452 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.406 ' HA ' ' CG2' ' A' ' 69' ' ' VAL . . . -56.81 -49.24 75.98 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.171 -0.468 . . . . 0.0 112.117 179.409 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.21 -50.61 71.1 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.789 0.328 . . . . 0.0 111.204 -179.164 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.466 ' HG3' ' CE1' ' A' ' 62' ' ' TYR . 1.8 mm-40 -62.87 -40.43 97.49 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.184 179.738 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.423 ' CB ' ' CD2' ' A' ' 75' ' ' LEU . . . -79.14 -26.61 42.78 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 -179.288 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 103.4 4.73 46.63 Favored Glycine 0 CA--C 1.519 0.331 0 C-N-CA 120.5 -0.857 . . . . 0.0 113.704 179.297 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.406 ' CG2' ' HA ' ' A' ' 64' ' ' ALA . 26.2 m -104.53 170.19 2.02 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.839 0.319 . . . . 0.0 110.21 179.469 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -88.4 -178.41 46.92 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.708 -0.758 . . . . 0.0 113.697 -178.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 18.1 m -64.12 -12.67 41.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.474 -0.363 . . . . 0.0 111.044 178.223 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -114.42 14.32 17.86 Favored 'General case' 0 CA--C 1.528 0.128 0 CA-C-O 120.498 0.19 . . . . 0.0 111.474 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -94.31 -167.12 36.91 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.565 -0.826 . . . . 0.0 112.762 -179.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -143.32 154.98 44.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.056 0.455 . . . . 0.0 111.688 -179.186 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.423 ' CD2' ' CB ' ' A' ' 67' ' ' ALA . 0.3 OUTLIER -117.99 139.99 50.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.121 179.078 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 59.1 p -84.5 -174.55 5.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.784 0.326 . . . . 0.0 111.242 -179.545 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -75.42 -50.95 14.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.086 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -56.73 -31.66 64.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.399 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -73.49 -43.67 59.58 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.548 179.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.474 ' CE1' ' OG1' ' A' ' 84' ' ' THR . 24.7 t80 -53.73 -54.42 38.31 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.928 179.627 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 74.7 mt -52.5 -52.27 27.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.559 -179.546 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -57.38 -54.67 44.22 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.871 -179.374 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 19.2 t -70.06 -40.43 78.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 111.875 0.324 . . . . 0.0 111.875 -178.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.474 ' OG1' ' CE1' ' A' ' 80' ' ' PHE . 61.8 m -62.66 -44.14 97.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.875 0.369 . . . . 0.0 110.273 179.721 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -51.82 -48.74 63.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.132 -179.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 13.6 m-80 -59.92 -36.51 77.17 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.762 179.511 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.474 HD21 ' CZ ' ' A' ' 96' ' ' PHE . 0.3 OUTLIER -60.88 -48.43 81.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.349 179.47 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 7.9 mt -74.3 -39.23 48.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.066 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 32.2 m-85 -87.98 -81.33 0.25 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.092 -179.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.43 -158.94 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.792 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 74.34 136.94 0.06 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.976 0.417 . . . . 0.0 110.685 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -73.44 162.34 54.53 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.989 -179.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -57.63 -56.4 22.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.979 0.419 . . . . 0.0 111.093 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.407 ' O ' ' CG ' ' A' ' 98' ' ' ARG . . . -61.62 -11.48 11.66 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.676 0.621 . . . . 0.0 112.676 -179.476 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.02 -45.26 42.99 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.724 0.297 . . . . 0.0 110.87 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.474 ' CZ ' HD21 ' A' ' 87' ' ' LEU . 0.1 OUTLIER -69.7 -41.33 75.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.689 179.851 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 50.3 t30 -69.59 -35.13 75.04 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.084 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.407 ' CG ' ' O ' ' A' ' 94' ' ' ALA . 8.4 mmp_? -62.43 -56.92 13.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.393 -179.572 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.423 HG23 ' CD2' ' A' ' 62' ' ' TYR . 19.5 t -81.34 -35.74 14.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 112.868 0.692 . . . . 0.0 112.868 -178.134 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.425 ' O ' ' CG2' ' A' ' 103' ' ' VAL . 7.5 tp -88.54 -26.94 21.73 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 119.982 -0.687 . . . . 0.0 111.901 -177.864 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.491 ' N ' ' HD2' ' A' ' 102' ' ' PRO . . . -47.64 -52.86 14.23 Favored Glycine 0 CA--C 1.525 0.678 0 C-N-CA 120.72 -0.752 . . . . 0.0 113.434 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . 0.491 ' HD2' ' N ' ' A' ' 101' ' ' GLY . 25.6 Cg_endo -63.61 -33.26 67.89 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.633 2.222 . . . . 0.0 114.1 -178.693 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.425 ' CG2' ' O ' ' A' ' 100' ' ' LEU . 15.1 m -72.48 -41.0 64.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 C-N-CA 120.149 -0.621 . . . . 0.0 111.348 -178.633 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.407 ' N ' HG21 ' A' ' 103' ' ' VAL . 11.5 t -69.03 -37.77 77.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 120.98 0.419 . . . . 0.0 110.011 178.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -57.51 -47.47 81.86 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.734 178.507 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -49.82 -30.24 14.61 Favored Glycine 0 N--CA 1.449 -0.434 0 CA-C-N 115.468 -0.787 . . . . 0.0 112.401 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 84.3 mt -72.85 -41.14 61.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 121.045 0.45 . . . . 0.0 110.418 179.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.406 ' O ' ' HB2' ' A' ' 112' ' ' ASP . 44.7 t -63.56 -39.89 87.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.635 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -60.83 -39.78 97.31 Favored Glycine 0 N--CA 1.453 -0.211 0 C-N-CA 120.629 -0.795 . . . . 0.0 112.798 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 8.1 ptm -77.44 -26.14 51.25 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.613 0.206 . . . . 0.0 111.502 -179.17 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . 0.437 ' O ' ' C ' ' A' ' 112' ' ' ASP . 3.1 m -97.81 -87.47 0.33 Allowed 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.632 0.605 . . . . 0.0 112.632 -178.362 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . 0.437 ' C ' ' O ' ' A' ' 111' ' ' CYS . 5.8 t0 15.93 103.0 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 124.235 1.014 . . . . 0.0 112.83 -178.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 26.9 mttt -81.75 -8.68 59.72 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.952 -179.389 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 53.0 p30 -128.64 -0.76 5.48 Favored 'General case' 0 CA--C 1.53 0.193 0 N-CA-C 111.891 0.33 . . . . 0.0 111.891 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . 52.29 61.55 3.15 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.629 0.252 . . . . 0.0 111.073 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 52.1 p30 -121.65 -8.57 9.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.56 179.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 80.26 8.34 87.69 Favored Glycine 0 C--N 1.334 0.43 0 C-N-CA 120.823 -0.703 . . . . 0.0 113.137 179.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -121.99 165.73 15.56 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.957 0.408 . . . . 0.0 111.328 -179.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 39.4 mm -109.09 100.38 10.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.398 -179.279 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -86.49 156.05 20.27 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 178.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -47.22 -35.84 8.09 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 121.109 -0.236 . . . . 0.0 111.474 -179.048 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.51 -32.94 70.61 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.238 179.183 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -77.33 -47.02 21.04 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 179.08 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -56.39 -49.07 75.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.731 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -56.48 -44.69 80.88 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.775 -179.257 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -54.74 -31.98 59.15 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 112.331 0.493 . . . . 0.0 112.331 -179.181 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 13.7 t90 -88.69 -37.32 15.64 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 111.701 0.26 . . . . 0.0 111.701 -178.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.16 -43.29 99.12 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.063 0.459 . . . . 0.0 110.337 179.731 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' THR . . . . . 0.419 ' HA ' ' O ' ' A' ' 133' ' ' MET . 1.6 m -73.31 -28.97 62.39 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.495 179.141 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.22 -36.23 82.97 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.412 179.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 21.8 mt -82.92 -4.59 58.37 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.125 0.416 . . . . 0.0 112.125 -178.376 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 110.64 21.83 6.64 Favored Glycine 0 C--N 1.331 0.268 0 C-N-CA 120.024 -1.084 . . . . 0.0 113.655 179.068 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' MET . . . . . 0.419 ' O ' ' HA ' ' A' ' 129' ' ' THR . 7.2 mmt -99.24 155.75 17.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 117.021 0.411 . . . . 0.0 110.072 179.206 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' SER . . . . . 0.416 ' CB ' ' OE1' ' A' ' 137' ' ' GLU . 5.7 m -81.73 165.0 21.34 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.68 0.276 . . . . 0.0 110.874 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.06 -22.86 65.83 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.89 0.376 . . . . 0.0 111.151 -179.764 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -80.2 -26.32 39.26 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.138 179.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . 0.416 ' OE1' ' CB ' ' A' ' 134' ' ' SER . 2.2 mp0 -73.72 -38.24 64.87 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.635 -179.324 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -59.78 -58.7 7.42 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.0 0.428 . . . . 0.0 110.729 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -47.77 -42.34 25.43 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.399 179.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.64 -50.12 47.29 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.78 -179.455 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -62.88 -37.2 85.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.954 0.407 . . . . 0.0 111.61 -179.153 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 48.9 t80 -53.71 -60.1 3.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.708 179.504 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -58.1 -34.87 70.66 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.417 -0.811 . . . . 0.0 112.699 -179.418 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -66.47 -34.15 77.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.661 0.267 . . . . 0.0 111.663 -178.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . 0.457 ' O ' ' N ' ' A' ' 147' ' ' THR . 23.7 t -84.38 -31.22 7.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 -178.641 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -61.55 78.55 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 121.329 0.585 . . . . 0.0 111.224 -178.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 147' ' ' THR . . . . . 0.457 ' N ' ' O ' ' A' ' 145' ' ' VAL . 65.1 m -56.99 -33.67 67.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.304 -0.862 . . . . 0.0 112.705 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 33.4 p30 -97.76 6.1 48.32 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -178.199 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 40.61 31.85 0.44 Allowed Glycine 0 C--N 1.333 0.392 0 C-N-CA 120.973 -0.632 . . . . 0.0 113.456 179.408 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 48.6 p-10 -88.68 -5.01 58.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.571 0.224 . . . . 0.0 111.086 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 88.49 3.96 77.39 Favored Glycine 0 C--N 1.334 0.433 0 C-N-CA 120.801 -0.714 . . . . 0.0 113.265 179.097 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -134.45 135.41 42.5 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 117.24 0.52 . . . . 0.0 110.899 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 11.6 mt -103.51 100.57 10.43 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.395 179.283 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 6.1 m -89.69 171.23 9.8 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.062 0.458 . . . . 0.0 111.938 -179.144 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 64.3 mt -49.45 -45.36 46.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.659 -0.7 . . . . 0.0 111.326 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.02 -51.67 68.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.108 0.48 . . . . 0.0 111.042 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -63.57 -19.8 65.12 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.732 -0.667 . . . . 0.0 112.643 -178.619 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.65 -29.99 65.24 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.169 179.778 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.691 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.1 mp . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.89 0.376 . . . . 0.0 111.226 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.06 -33.53 76.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.03 -0.532 . . . . 0.0 112.403 -179.182 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.11 -49.17 78.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.035 0.445 . . . . 0.0 110.708 -179.821 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -54.33 -46.94 72.98 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.331 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.36 -48.35 80.16 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.792 -179.232 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 35.9 mt -74.98 -39.38 61.31 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.924 -0.31 . . . . 0.0 111.522 -178.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.26 -40.02 76.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.829 0.347 . . . . 0.0 110.715 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.423 ' O ' ' N ' ' A' ' 15' ' ' ARG . 11.1 mtpt -73.31 -46.25 50.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.122 -179.627 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.414 ' O ' ' CE3' ' A' ' 16' ' ' TRP . 2.2 mmp_? -46.91 -28.67 1.68 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.768 0.318 . . . . 0.0 111.022 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -74.46 -59.33 2.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.463 179.504 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -68.96 -14.63 63.16 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.844 179.454 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.423 ' N ' ' O ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -74.06 -22.02 59.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.075 -179.827 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.414 ' CE3' ' O ' ' A' ' 12' ' ' ARG . 1.7 m0 -99.01 -96.74 0.23 Allowed 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 111.806 0.299 . . . . 0.0 111.806 -179.663 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 40.83 72.89 0.14 Allowed 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 121.188 0.518 . . . . 0.0 111.526 -179.301 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -55.62 -50.69 69.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.765 -179.065 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.5 p-10 -98.16 -15.33 19.95 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 111.685 0.254 . . . . 0.0 111.685 -179.277 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 81.11 49.0 5.77 Favored Glycine 0 CA--C 1.518 0.246 0 C-N-CA 120.54 -0.838 . . . . 0.0 112.126 -179.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.0 p30 -95.44 -12.49 25.84 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 111.751 0.278 . . . . 0.0 111.751 -179.568 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 82.06 21.3 61.28 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.302 -179.598 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -158.19 179.71 8.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.631 0.253 . . . . 0.0 110.498 179.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -114.46 116.86 29.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.87 0.367 . . . . 0.0 110.449 179.374 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -116.29 170.78 8.27 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.583 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -70.15 -39.33 75.42 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.583 179.702 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.2 -22.48 51.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.829 179.394 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -70.87 -27.64 63.98 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.012 179.617 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 65.4 m-85 -76.97 -36.02 56.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.739 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -65.39 -40.98 94.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.51 179.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.8 tptt -66.05 -43.69 86.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.866 0.365 . . . . 0.0 110.308 179.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -50.5 -68.08 0.2 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.268 179.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -43.06 -46.03 5.48 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.95 179.507 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -64.61 -54.46 31.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.46 179.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 27.6 t60 -56.37 -39.41 72.88 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.1 179.457 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.414 ' O ' ' N ' ' A' ' 39' ' ' ALA . 56.7 mt -63.1 -54.75 29.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.494 179.245 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -43.01 -46.35 5.48 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.716 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.61 -35.57 74.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.914 0.388 . . . . 0.0 110.086 179.349 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.414 ' N ' ' O ' ' A' ' 36' ' ' ILE . . . -62.11 -33.52 74.61 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 178.716 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -89.7 1.41 56.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.463 178.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 65.08 -157.93 45.88 Favored Glycine 0 N--CA 1.446 -0.673 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.374 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 23.2 mtmt 74.37 -155.29 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.659 0.266 . . . . 0.0 111.214 179.383 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.81 -162.31 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.928 0.394 . . . . 0.0 111.727 -178.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -142.19 -54.26 0.43 Allowed 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 178.107 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -90.87 30.41 6.22 Favored Glycine 0 CA--C 1.519 0.3 0 CA-C-N 114.911 -1.04 . . . . 0.0 112.266 179.56 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.7 -169.55 0.17 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.765 0.283 . . . . 0.0 110.811 179.445 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -87.6 -45.25 10.59 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.813 0.34 . . . . 0.0 111.186 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -58.79 -27.32 64.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.053 -0.521 . . . . 0.0 112.181 -178.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 5.6 p -76.66 -42.4 34.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.594 -0.275 . . . . 0.0 110.554 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -60.93 -42.59 98.45 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 178.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 27.9 m -58.77 -55.82 30.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.832 178.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 47.2 tp -50.42 -60.85 2.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.729 -0.668 . . . . 0.0 110.459 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 35.8 mtpt -50.86 -36.17 36.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.61 -0.268 . . . . 0.0 110.784 179.566 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -59.35 -41.52 89.38 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.874 0.369 . . . . 0.0 110.232 179.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.05 -46.71 67.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.378 178.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -55.43 -33.71 63.81 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.543 179.515 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -63.17 -51.31 56.0 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.264 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -60.12 -28.75 67.01 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.676 -0.774 . . . . 0.0 112.554 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -57.48 -39.35 76.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.728 0.299 . . . . 0.0 110.281 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.417 ' O ' ' N ' ' A' ' 63' ' ' LEU . 47.8 t80 -62.55 -43.9 97.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.399 179.421 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.411 ' N ' ' OD1' ' A' ' 61' ' ' ASP . 0.8 OUTLIER -41.37 -50.33 3.79 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.535 -179.625 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 15.2 t80 -58.05 -33.24 68.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.839 0.352 . . . . 0.0 110.805 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.417 ' N ' ' O ' ' A' ' 60' ' ' PHE . 13.8 mt -67.08 -57.22 7.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.037 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -55.82 -48.33 75.62 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.516 179.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 37.3 mtmt -62.54 -53.35 56.08 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.683 -179.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 43.9 mm-40 -61.52 -40.1 93.41 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.808 179.601 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -76.54 -26.74 55.5 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.82 0.343 . . . . 0.0 111.601 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 103.65 4.09 46.19 Favored Glycine 0 CA--C 1.521 0.455 0 C-N-CA 120.782 -0.723 . . . . 0.0 114.139 178.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 25.5 m -106.0 176.16 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 117.153 0.477 . . . . 0.0 110.942 179.544 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -85.77 177.51 49.74 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 121.004 -0.617 . . . . 0.0 113.853 -178.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.16 -14.03 52.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.136 -0.532 . . . . 0.0 111.082 178.416 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.8 p30 -111.23 14.93 21.7 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 111.608 0.225 . . . . 0.0 111.608 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -94.26 -166.04 36.65 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.503 -0.855 . . . . 0.0 112.641 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 85.3 p -142.06 154.8 45.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.871 0.367 . . . . 0.0 111.361 -179.346 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -117.83 138.4 52.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.297 179.35 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 12.0 p -87.67 178.79 6.65 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.219 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -69.85 -48.24 59.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.133 -179.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.93 -35.69 71.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.461 179.792 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.1 -41.85 61.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.036 0.446 . . . . 0.0 110.042 179.215 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 23.1 t80 -52.31 -54.34 32.82 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.489 179.19 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 79.0 mt -54.76 -51.11 55.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.39 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 58.1 ttt180 -55.74 -54.98 37.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.64 -179.376 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 13.1 t -70.57 -34.61 57.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 111.882 0.327 . . . . 0.0 111.882 -179.218 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 75.5 m -63.03 -43.35 98.92 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.055 0.455 . . . . 0.0 110.087 179.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -49.58 -51.41 37.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.799 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -60.7 -37.63 82.3 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.198 -0.456 . . . . 0.0 112.011 -179.45 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 10.4 mt -56.37 -52.6 63.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.822 0.344 . . . . 0.0 111.011 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 49.6 mm -72.54 -38.38 59.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.439 -179.705 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -92.29 -80.05 0.37 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.405 -179.626 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -59.73 -163.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.945 0.402 . . . . 0.0 111.229 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 69.56 -81.62 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.994 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 134.9 174.73 13.55 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.597 -0.811 . . . . 0.0 112.965 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -58.36 -57.43 12.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.108 0.48 . . . . 0.0 111.483 -179.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.422 ' O ' ' HB2' ' A' ' 98' ' ' ARG . . . -58.87 -14.7 9.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.668 -0.696 . . . . 0.0 112.515 -178.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 16.5 m -76.92 -43.08 36.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.673 0.273 . . . . 0.0 111.228 -179.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 22.7 t80 -71.64 -39.51 70.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.782 0.325 . . . . 0.0 111.782 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 42.0 t-20 -69.52 -34.18 73.9 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.654 -179.579 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.422 ' HB2' ' O ' ' A' ' 94' ' ' ALA . 0.4 OUTLIER -60.46 -66.18 0.57 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.886 0.374 . . . . 0.0 111.993 -179.582 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 42.7 t -72.25 -35.0 51.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 113.083 0.772 . . . . 0.0 113.083 -178.029 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -89.58 -26.01 21.04 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 119.707 -0.797 . . . . 0.0 112.498 -177.721 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -43.35 -60.83 3.01 Favored Glycine 0 CA--C 1.522 0.519 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.579 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_exo -61.4 -16.59 48.18 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.791 2.328 . . . . 0.0 112.439 179.515 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 80.3 t -80.06 -51.59 15.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.191 -179.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 4.9 t -68.66 -32.72 56.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.981 0.419 . . . . 0.0 110.932 179.351 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.07 -56.74 16.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.649 179.664 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -45.37 -38.87 7.03 Favored Glycine 0 CA--C 1.518 0.279 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.199 179.584 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 17.7 mt -75.16 -38.17 41.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.756 0.312 . . . . 0.0 111.139 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 97.0 t -63.52 -32.84 58.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.025 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -71.82 -27.79 70.09 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.592 -0.813 . . . . 0.0 112.35 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.27 -27.47 42.29 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.631 0.253 . . . . 0.0 110.441 179.747 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -86.73 -41.39 14.18 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 113.025 0.75 . . . . 0.0 113.025 -177.528 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . 0.444 ' HA ' ' HG2' ' A' ' 123' ' ' GLU . 11.7 m-20 -63.24 -72.71 0.13 Allowed 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.453 -0.499 . . . . 0.0 110.445 -179.206 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.41 ' HB2' ' O ' ' A' ' 112' ' ' ASP . 0.8 OUTLIER 81.83 -2.42 1.56 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.067 -178.252 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -105.62 -18.63 14.02 Favored 'General case' 0 CA--C 1.528 0.131 0 CA-C-N 116.625 -0.262 . . . . 0.0 110.533 179.487 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . 78.8 43.02 0.08 Allowed 'General case' 0 C--O 1.232 0.151 0 N-CA-C 112.662 0.615 . . . . 0.0 112.662 179.088 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 46.6 p-10 -105.83 -18.67 13.98 Favored 'General case' 0 N--CA 1.463 0.179 0 C-N-CA 121.034 -0.266 . . . . 0.0 110.975 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 79.43 12.21 84.05 Favored Glycine 0 CA--C 1.521 0.462 0 C-N-CA 120.828 -0.701 . . . . 0.0 113.479 179.537 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -124.78 163.91 21.11 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 117.315 0.557 . . . . 0.0 111.828 -179.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.412 ' HB ' ' HB2' ' A' ' 153' ' ' LEU . 31.9 mm -110.34 101.17 12.17 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.186 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.404 -179.452 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . 0.429 ' O ' ' N ' ' A' ' 123' ' ' GLU . 2.5 m-20 -85.71 158.81 19.95 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 179.384 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -48.48 -38.46 20.1 Favored 'General case' 0 C--N 1.332 -0.161 0 C-N-CA 121.143 -0.223 . . . . 0.0 111.286 -178.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.6 -27.3 65.92 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 178.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . 0.444 ' HG2' ' HA ' ' A' ' 112' ' ' ASP . 25.1 mt-10 -85.97 -46.6 10.38 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.348 178.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . 0.47 ' CE2' HD13 ' A' ' 128' ' ' LEU . 3.9 t80 -55.08 -50.7 68.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.955 0.407 . . . . 0.0 110.41 179.664 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . 0.424 ' HA ' ' CB ' ' A' ' 138' ' ' ALA . . . -56.45 -41.89 77.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.381 179.639 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -55.36 -34.95 64.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.471 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 13.1 t90 -83.39 -44.21 15.07 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 112.033 0.382 . . . . 0.0 112.033 -178.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.47 HD13 ' CE2' ' A' ' 124' ' ' PHE . 0.3 OUTLIER -59.64 -43.71 93.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.876 0.37 . . . . 0.0 111.015 -179.43 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' THR . . . . . 0.403 ' HA ' ' O ' ' A' ' 133' ' ' MET . 69.0 p -70.46 -27.62 64.37 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.076 179.372 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.29 -36.45 84.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.331 179.228 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 66.7 mt -85.1 0.56 51.2 Favored 'General case' 0 CA--C 1.531 0.22 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -178.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 108.41 24.63 6.11 Favored Glycine 0 C--N 1.332 0.351 0 C-N-CA 120.159 -1.02 . . . . 0.0 113.874 178.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' MET . . . . . 0.403 ' O ' ' HA ' ' A' ' 129' ' ' THR . 23.5 mmt -101.68 154.87 18.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 117.366 0.583 . . . . 0.0 110.62 179.467 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 1.3 p -82.39 169.35 16.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.738 0.304 . . . . 0.0 111.101 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.87 -22.59 61.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.434 -179.552 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -80.69 -26.34 37.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.946 179.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -75.13 -44.97 44.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.818 -179.409 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . 0.424 ' CB ' ' HA ' ' A' ' 125' ' ' ALA . . . -57.16 -52.07 66.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.817 0.342 . . . . 0.0 110.664 -179.619 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -50.93 -43.34 60.08 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.981 179.435 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.19 -46.5 64.46 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.657 -179.826 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -63.13 -37.15 86.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.619 -179.337 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 142' ' ' PHE . . . . . 0.453 ' CE1' ' HG ' ' A' ' 153' ' ' LEU . 89.6 t80 -52.85 -61.02 2.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.393 179.488 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -55.51 -34.6 64.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.838 -179.348 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -67.92 -31.07 70.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.463 -179.252 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . 0.453 ' O ' ' N ' ' A' ' 147' ' ' THR . 59.8 t -85.02 -35.14 9.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 -178.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.85 77.95 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.137 0.494 . . . . 0.0 111.367 -179.142 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 147' ' ' THR . . . . . 0.453 ' N ' ' O ' ' A' ' 145' ' ' VAL . 2.2 m -56.83 -33.09 66.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.708 -0.678 . . . . 0.0 112.095 179.643 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 56.5 p30 -97.76 4.86 49.79 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.442 0.534 . . . . 0.0 112.442 -178.368 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 40.7 36.95 1.17 Allowed Glycine 0 CA--C 1.521 0.449 0 C-N-CA 120.998 -0.62 . . . . 0.0 113.214 179.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 45.8 p-10 -94.18 -6.92 43.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.519 0.199 . . . . 0.0 111.528 -179.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 93.78 0.46 66.52 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.575 -0.821 . . . . 0.0 113.548 179.133 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -132.74 134.61 44.97 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 117.435 0.618 . . . . 0.0 110.509 179.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . 0.453 ' HG ' ' CE1' ' A' ' 142' ' ' PHE . 56.8 mt -95.58 104.1 16.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.305 179.278 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 9.7 m -88.11 156.6 19.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.929 0.395 . . . . 0.0 111.796 -178.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -44.41 -41.18 6.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.928 -179.408 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.78 -56.52 19.58 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.805 0.336 . . . . 0.0 111.102 -179.531 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -67.89 -14.64 63.13 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.724 0.638 . . . . 0.0 112.724 -179.337 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.41 -44.48 67.84 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 120.892 0.377 . . . . 0.0 111.056 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . 0.417 ' CD2' ' N ' ' A' ' 159' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.459 -179.22 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.5 mp . . . . . 0 C--O 1.231 0.126 0 CA-C-O 121.007 0.432 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.13 -45.42 88.65 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.904 -0.589 . . . . 0.0 112.194 -179.273 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.7 t -58.27 -58.08 10.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.921 0.391 . . . . 0.0 111.007 -179.558 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -46.66 -52.55 13.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.331 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.12 -44.62 96.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.92 -178.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.401 HD12 ' CG2' ' A' ' 81' ' ' ILE . 8.4 mt -74.85 -37.05 62.34 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.874 -0.331 . . . . 0.0 111.648 -178.459 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.2 tmtm? -60.72 -63.01 1.45 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.827 0.346 . . . . 0.0 110.712 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 37.7 mttp -50.98 -43.47 60.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.938 0.399 . . . . 0.0 110.701 179.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -45.87 -37.28 6.09 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.303 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -72.96 -54.74 7.86 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.405 -179.491 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.22 -16.59 63.64 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.62 -179.794 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.7 ttt-85 -74.14 -19.42 60.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.53 0.205 . . . . 0.0 111.538 -179.609 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 11.6 m0 -104.94 -93.14 0.36 Allowed 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 116.798 -0.183 . . . . 0.0 110.991 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 39.96 79.72 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 121.049 0.452 . . . . 0.0 111.732 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 80.9 m-85 -56.22 -52.27 65.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.847 -179.224 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 27.8 p-10 -98.68 -13.97 20.04 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 111.832 0.308 . . . . 0.0 111.832 -179.234 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.18 43.19 21.81 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.448 -0.882 . . . . 0.0 112.193 -179.472 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.9 p30 -92.01 -9.09 44.13 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 111.651 0.241 . . . . 0.0 111.651 -179.625 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 81.12 16.88 73.39 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.415 -0.898 . . . . 0.0 112.413 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -153.59 -179.0 7.39 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.571 0.224 . . . . 0.0 110.504 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 78.4 mt -121.4 122.67 40.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.886 0.374 . . . . 0.0 110.92 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -117.86 172.12 7.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.112 0.482 . . . . 0.0 110.683 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.441 ' HA ' ' CD2' ' A' ' 60' ' ' PHE . 8.0 ttp85 -64.36 -30.49 71.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.001 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.52 -18.92 61.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.313 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -73.63 -30.98 63.29 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 110.183 -0.303 . . . . 0.0 110.183 179.435 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.432 ' CZ ' ' CD1' ' A' ' 63' ' ' LEU . 50.7 m-85 -76.27 -37.08 58.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.923 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -65.29 -35.51 81.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.513 179.67 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.3 mttt -64.73 -40.28 95.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.035 0.445 . . . . 0.0 109.982 179.4 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.479 ' HG2' ' CZ ' ' A' ' 56' ' ' PHE . 2.6 tt0 -56.39 -18.44 11.04 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.32 179.62 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -91.25 -50.54 5.77 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.977 0.418 . . . . 0.0 111.065 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -61.08 -51.56 68.65 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.855 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -54.07 -25.26 20.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.932 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.443 ' CG1' ' O ' ' A' ' 32' ' ' GLU . 16.5 mm -85.23 -50.43 14.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.355 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -45.38 -49.16 13.28 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.781 -0.19 . . . . 0.0 111.099 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -58.73 -34.44 71.37 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 178.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.404 ' N ' ' O ' ' A' ' 36' ' ' ILE . . . -60.56 -31.46 70.58 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 178.404 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -93.94 1.06 56.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.876 179.111 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 59.1 -154.37 29.08 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.979 -0.629 . . . . 0.0 112.889 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.9 ttmt 74.95 -56.49 0.63 Allowed 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 122.389 0.276 . . . . 0.0 111.471 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -164.67 -164.15 0.79 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.128 0.49 . . . . 0.0 111.931 -179.076 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.431 ' O ' ' CG1' ' A' ' 49' ' ' VAL . . . -140.85 -57.1 0.51 Allowed 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 177.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -95.96 25.65 24.36 Favored Glycine 0 N--CA 1.452 -0.246 0 CA-C-N 114.72 -1.127 . . . . 0.0 111.771 179.231 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.36 -172.04 0.14 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.927 0.394 . . . . 0.0 111.188 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -73.05 -53.25 11.58 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.16 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -59.05 -27.75 65.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.952 -179.056 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.431 ' CG1' ' O ' ' A' ' 44' ' ' ALA . 17.1 t -77.26 -44.78 30.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 C-N-CA 120.866 -0.334 . . . . 0.0 110.215 179.517 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.8 tp60 -60.04 -43.35 95.41 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 178.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 85.6 m -57.68 -56.2 25.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.97 179.115 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 51.5 tp -50.63 -56.22 12.84 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.425 ' NZ ' ' HB3' ' A' ' 53' ' ' LYS . 9.7 mtpm? -50.75 -42.06 57.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.786 0.327 . . . . 0.0 110.278 178.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -57.81 -44.7 86.56 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.027 179.551 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.82 -44.26 77.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.368 179.2 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.479 ' CZ ' ' HG2' ' A' ' 32' ' ' GLU . 0.2 OUTLIER -57.72 -31.8 66.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.417 179.652 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -68.76 -48.72 47.48 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.059 179.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -54.98 -36.79 61.16 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.895 -0.669 . . . . 0.0 112.549 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.2 tt -58.55 -35.31 72.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.707 0.289 . . . . 0.0 110.27 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.441 ' CD2' ' HA ' ' A' ' 26' ' ' ARG . 57.6 t80 -60.2 -47.91 83.96 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.649 -0.501 . . . . 0.0 109.649 179.181 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -42.0 -51.03 4.57 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.088 179.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -57.37 -36.06 70.75 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.043 0.449 . . . . 0.0 110.466 179.48 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.432 ' CD1' ' CZ ' ' A' ' 29' ' ' PHE . 28.0 mt -65.1 -56.28 13.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.297 179.427 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.449 ' HA ' ' CG2' ' A' ' 69' ' ' VAL . . . -56.07 -44.64 79.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.199 179.747 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.88 -54.65 27.52 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.001 0.429 . . . . 0.0 110.849 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -62.44 -39.69 94.17 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.743 179.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -77.49 -27.11 51.77 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.867 0.365 . . . . 0.0 111.302 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 64' ' ' ALA . . . 77.33 68.47 1.51 Allowed Glycine 0 CA--C 1.519 0.295 0 C-N-CA 120.914 -0.66 . . . . 0.0 113.911 178.785 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.449 ' CG2' ' HA ' ' A' ' 64' ' ' ALA . 0.0 OUTLIER -124.66 -86.7 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.66 0.23 . . . . 0.0 111.355 179.898 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.55 ' O ' ' CB ' ' A' ' 71' ' ' SER . . . 178.4 -22.81 0.05 OUTLIER Glycine 0 CA--C 1.523 0.58 0 C-N-CA 119.659 -1.258 . . . . 0.0 114.632 -179.651 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.55 ' CB ' ' O ' ' A' ' 70' ' ' GLY . 22.7 t 114.18 -27.15 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.252 1.021 . . . . 0.0 109.745 -178.634 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -110.6 10.62 22.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.082 179.465 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -94.2 -162.86 35.65 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.643 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.4 p -142.79 156.37 44.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.027 0.441 . . . . 0.0 111.503 -179.336 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.5 mt -118.59 142.11 47.94 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.667 179.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 4.3 p -86.61 -170.52 3.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.456 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -75.71 -47.55 25.69 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.371 179.384 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -60.29 -31.69 70.49 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.265 179.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -73.22 -44.61 59.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.007 0.432 . . . . 0.0 110.903 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -52.79 -52.69 55.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.892 179.561 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.44 HD12 HG22 ' A' ' 81' ' ' ILE . 36.1 mt -53.28 -54.22 19.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.671 -0.695 . . . . 0.0 112.015 -179.242 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.42 -49.82 73.43 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.859 -179.209 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 21.9 t -71.69 -48.94 49.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 N-CA-C 112.968 0.729 . . . . 0.0 112.968 -178.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 3.9 t -59.01 -41.04 86.73 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 121.049 -0.26 . . . . 0.0 111.199 -178.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.408 ' O ' ' HB2' ' A' ' 89' ' ' PHE . 2.7 mt-10 -63.28 -42.05 99.05 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -179.051 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.403 ' O ' ' HB2' ' A' ' 90' ' ' GLU . 1.2 t-20 -55.17 -41.09 71.42 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.229 0.455 . . . . 0.0 112.229 -178.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 9.2 mt -59.52 -57.04 14.71 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.809 0.338 . . . . 0.0 111.704 -179.51 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 3.1 mt -73.17 -36.86 51.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 N-CA-C 112.708 0.633 . . . . 0.0 112.708 -178.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.408 ' HB2' ' O ' ' A' ' 85' ' ' GLU . 11.4 m-85 -89.68 -70.25 0.67 Allowed 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.173 0.435 . . . . 0.0 112.173 -178.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.403 ' HB2' ' O ' ' A' ' 86' ' ' ASN . 0.0 OUTLIER -41.58 -79.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.344 0.498 . . . . 0.0 112.344 -178.667 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.5 175.11 10.81 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 112.21 0.448 . . . . 0.0 112.21 -178.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -89.23 -157.07 32.52 Favored Glycine 0 C--N 1.334 0.426 0 C-N-CA 121.068 -0.587 . . . . 0.0 113.406 -179.262 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -56.53 -39.77 73.92 Favored 'General case' 0 N--CA 1.462 0.166 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 -179.188 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -52.92 -25.85 13.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.908 -178.466 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.3 p -82.38 -52.65 6.69 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.038 179.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.461 ' CZ ' HD21 ' A' ' 100' ' ' LEU . 3.4 t80 -71.7 -39.26 70.3 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.845 -179.58 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.411 ' O ' ' N ' ' A' ' 101' ' ' GLY . 33.2 t-20 -69.17 -36.14 77.05 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.555 -179.381 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 -63.19 -65.92 0.62 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.846 0.355 . . . . 0.0 111.638 -179.161 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 9.8 p -66.53 -39.64 84.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 112.658 0.614 . . . . 0.0 112.658 -178.201 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.461 HD21 ' CZ ' ' A' ' 96' ' ' PHE . 7.4 tp -89.87 -23.97 21.5 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 112.819 0.674 . . . . 0.0 112.819 -177.598 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 97' ' ' ASN . . . -44.38 -66.21 1.45 Allowed Glycine 0 CA--C 1.521 0.431 0 C-N-CA 120.519 -0.848 . . . . 0.0 113.212 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -54.09 -18.49 13.7 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.727 2.285 . . . . 0.0 112.68 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 43.7 t -77.61 -46.05 27.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 C-N-CA 120.765 -0.374 . . . . 0.0 111.299 -179.539 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 47.3 t -70.46 -36.32 65.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 121.022 0.439 . . . . 0.0 110.702 179.432 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 16.9 mtpt -57.5 -52.53 65.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.772 179.31 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -47.56 -31.2 6.87 Favored Glycine 0 C--N 1.331 0.262 0 CA-C-N 115.829 -0.623 . . . . 0.0 112.818 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.413 HD12 ' CZ2' ' A' ' 127' ' ' TRP . 46.9 mt -75.39 -39.66 41.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.909 0.385 . . . . 0.0 110.69 179.794 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 10.8 t -62.76 -36.32 74.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.344 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -59.81 -41.08 97.47 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.536 -0.84 . . . . 0.0 112.555 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 1.3 mtp -79.14 -25.07 42.93 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 121.376 -0.13 . . . . 0.0 111.183 -179.519 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 42.9 t -97.15 -26.11 15.07 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 113.328 0.862 . . . . 0.0 113.328 -177.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -62.27 104.88 0.53 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.151 0.5 . . . . 0.0 111.191 -178.453 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 2.8 mtpt -87.5 -21.66 25.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.939 179.373 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -107.55 8.24 29.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.617 -0.265 . . . . 0.0 111.409 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . 40.51 61.63 1.56 Allowed 'General case' 0 N--CA 1.463 0.215 0 N-CA-C 112.136 0.421 . . . . 0.0 112.136 179.539 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -120.06 -10.15 9.48 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 116.67 -0.241 . . . . 0.0 111.421 179.433 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 79.27 9.55 86.89 Favored Glycine 0 C--N 1.334 0.459 0 C-N-CA 120.884 -0.674 . . . . 0.0 113.167 179.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -123.43 167.46 13.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.949 0.404 . . . . 0.0 111.363 -179.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.405 HG23 ' CD1' ' A' ' 124' ' ' PHE . 20.1 mm -108.5 99.18 8.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.399 -179.419 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . 0.425 ' O ' ' N ' ' A' ' 123' ' ' GLU . 1.4 m-20 -85.4 155.24 21.37 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 178.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -47.22 -37.55 10.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.595 0.236 . . . . 0.0 111.569 -178.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 -71.26 -27.15 63.24 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 110.156 -0.313 . . . . 0.0 110.156 179.258 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 120' ' ' ASN . 37.6 mt-10 -84.05 -47.96 10.39 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 178.706 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . 0.405 ' CD1' HG23 ' A' ' 119' ' ' ILE . 2.4 t80 -57.47 -50.81 71.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.099 0.475 . . . . 0.0 110.874 179.685 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -55.48 -45.38 76.97 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.016 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -56.71 -31.33 64.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.867 -179.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' TRP . . . . . 0.413 ' CZ2' HD12 ' A' ' 107' ' ' ILE . 12.7 t90 -87.81 -36.44 17.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.603 0.239 . . . . 0.0 111.594 -178.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.73 -41.9 99.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.149 0.499 . . . . 0.0 110.418 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 39.6 p -71.28 -21.86 62.03 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.073 178.569 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.7 -37.34 87.26 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.4 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 38.6 mt -89.12 -13.06 39.37 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 112.226 0.454 . . . . 0.0 112.226 -178.475 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 122.46 29.59 1.29 Allowed Glycine 0 N--CA 1.453 -0.2 0 C-N-CA 119.943 -1.122 . . . . 0.0 113.848 179.226 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' MET . . . . . . . . . . . . . 18.9 mmt -103.18 151.94 22.03 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 178.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.34 163.66 21.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.934 0.397 . . . . 0.0 111.289 -179.491 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 1.3 ttmm -65.01 -26.54 68.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.177 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -78.86 -25.42 43.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.86 179.382 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -73.56 -44.51 57.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.608 -179.552 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -58.79 -56.28 24.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.803 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -48.61 -44.0 36.73 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.197 179.643 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.5 -48.99 58.8 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.464 -179.56 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -62.01 -36.08 80.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.721 -179.049 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 44.0 t80 -55.31 -59.32 4.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.856 179.584 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -58.58 -34.34 70.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.733 -0.667 . . . . 0.0 112.277 -179.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -65.73 -38.63 89.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.966 -178.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . 0.452 ' O ' ' N ' ' A' ' 147' ' ' THR . 20.5 t -82.93 -28.58 8.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 N-CA-C 112.551 0.574 . . . . 0.0 112.551 -178.258 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.14 78.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.054 0.454 . . . . 0.0 111.239 -179.386 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 147' ' ' THR . . . . . 0.452 ' N ' ' O ' ' A' ' 145' ' ' VAL . 17.0 m -56.48 -35.98 68.59 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.661 -0.699 . . . . 0.0 112.289 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 49.4 p-10 -97.12 6.59 48.24 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.234 0.457 . . . . 0.0 112.234 -178.511 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 40.29 37.31 1.1 Allowed Glycine 0 C--N 1.335 0.496 0 C-N-CA 121.087 -0.577 . . . . 0.0 113.325 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 23.2 p-10 -92.56 -6.87 48.67 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.526 0.203 . . . . 0.0 111.504 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 89.34 3.29 75.58 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.581 -0.819 . . . . 0.0 113.425 179.168 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -132.18 133.48 44.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 117.463 0.631 . . . . 0.0 110.712 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 7.6 mt -97.74 100.12 11.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.861 178.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 3.0 t -86.8 164.31 16.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.121 0.486 . . . . 0.0 111.606 -178.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 3.1 mt -45.47 -44.96 12.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.1 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -56.46 -58.76 6.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.131 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -66.07 -14.84 62.42 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.706 -0.679 . . . . 0.0 112.585 -178.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 10.9 mt -70.06 -50.15 43.99 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.919 0.39 . . . . 0.0 110.91 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.331 -0.233 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.478 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.233 0.208 0 CA-C-O 121.012 0.434 . . . . 0.0 110.846 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.98 -45.09 90.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.818 -0.628 . . . . 0.0 112.125 -179.267 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 m -58.99 -57.04 14.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.816 0.341 . . . . 0.0 111.566 -179.387 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -49.07 -51.5 31.06 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 -178.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 17.7 tpp180 -60.47 -44.54 95.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.773 0.321 . . . . 0.0 111.58 -178.534 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 17.0 mt -78.11 -35.19 49.53 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.144 0.424 . . . . 0.0 112.144 -178.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.5 tmtt? -57.84 -54.34 47.99 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.308 -179.428 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.0 mttp -59.69 -45.9 90.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.247 -179.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -48.94 -27.47 3.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.878 0.371 . . . . 0.0 111.346 -179.606 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.479 ' CD1' ' HB2' ' A' ' 77' ' ' GLU . 70.3 t80 -72.17 -51.7 20.02 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.712 -179.844 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -69.36 -26.26 64.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.711 179.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -76.97 -20.13 56.49 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.639 179.384 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -108.59 77.97 1.12 Allowed 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.844 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -153.51 82.01 1.17 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.537 0.684 . . . . 0.0 110.958 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -54.98 -48.82 72.77 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 114.836 -1.074 . . . . 0.0 112.59 -178.495 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 15.6 p-10 -97.11 -13.23 22.31 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 111.864 0.32 . . . . 0.0 111.864 -179.457 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 75.06 47.64 12.94 Favored Glycine 0 C--N 1.331 0.293 0 C-N-CA 120.584 -0.817 . . . . 0.0 112.483 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.433 ' OD1' ' N ' ' A' ' 21' ' ' ASN . 7.5 p-10 -97.19 -8.97 28.72 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.235 0.457 . . . . 0.0 112.235 -179.454 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 80.32 22.75 62.16 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.373 -0.918 . . . . 0.0 112.52 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -155.72 172.52 18.18 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 110.318 -0.253 . . . . 0.0 110.318 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.5 mp -112.54 119.96 39.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.763 0.316 . . . . 0.0 110.648 179.621 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -119.28 168.51 10.84 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.049 179.494 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 39.3 ptt85 -71.59 -34.59 70.03 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.225 -179.472 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.67 -20.32 55.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.012 179.623 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 43.9 m-20 -70.92 -24.47 62.46 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.789 0.328 . . . . 0.0 110.275 179.547 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.421 ' HB3' ' HB3' ' A' ' 56' ' ' PHE . 19.0 m-85 -77.95 -35.15 50.7 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.266 -179.775 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -65.71 -37.59 86.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.817 0.341 . . . . 0.0 110.245 179.552 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.37 -45.44 72.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.811 179.687 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.409 ' O ' HG13 ' A' ' 36' ' ' ILE . 4.2 tt0 -47.94 -67.08 0.31 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.357 179.802 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -45.07 -47.54 11.9 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.938 0.399 . . . . 0.0 111.203 179.356 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -61.36 -55.9 26.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.969 -0.559 . . . . 0.0 109.868 179.543 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -52.7 -27.82 19.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.49 179.756 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.409 HG13 ' O ' ' A' ' 32' ' ' GLU . 96.2 mt -77.68 -57.54 5.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.55 179.122 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -40.92 -46.0 2.68 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.774 -179.622 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -57.89 -40.29 79.93 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.635 179.726 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.26 -27.54 69.41 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.728 179.257 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -90.97 1.23 57.21 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.602 -179.741 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 67.84 13.43 63.86 Favored Glycine 0 C--N 1.332 0.341 0 C-N-CA 120.705 -0.76 . . . . 0.0 113.304 179.516 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 56.3 mmtt -91.63 155.06 18.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.782 0.325 . . . . 0.0 110.761 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -70.84 129.8 40.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.363 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.6 -15.63 63.76 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.799 -179.575 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -102.09 16.97 55.13 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.285 -0.96 . . . . 0.0 113.42 -179.19 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.05 -170.49 0.35 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.867 0.333 . . . . 0.0 110.772 179.354 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -89.5 -45.14 9.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.004 0.431 . . . . 0.0 111.076 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -62.2 -23.62 66.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.992 -179.087 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.7 p -75.94 -45.13 37.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.457 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -61.9 -39.3 91.53 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 179.118 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 94.5 m -60.49 -54.98 39.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 109.965 178.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 11.6 tp -52.27 -59.54 4.28 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.515 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.3 mttt -50.93 -37.07 41.93 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 121.002 0.429 . . . . 0.0 110.025 179.348 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -58.6 -44.21 89.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.22 179.277 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.441 ' CB ' ' O ' ' A' ' 102' ' ' PRO . . . -69.37 -46.23 67.45 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.018 179.633 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.421 ' HB3' ' HB3' ' A' ' 29' ' ' PHE . 0.4 OUTLIER -55.12 -30.86 60.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.496 179.789 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -62.63 -51.11 58.4 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.508 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -61.89 -28.02 69.55 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.586 -0.816 . . . . 0.0 112.512 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 12.5 tp -56.84 -35.38 68.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.751 0.31 . . . . 0.0 110.622 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 50.7 t80 -64.52 -40.24 95.25 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.62 179.33 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -42.39 -51.69 4.84 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.629 -179.788 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.413 ' OH ' ' NE2' ' A' ' 91' ' ' GLN . 16.1 t80 -58.9 -35.1 72.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.035 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 86.5 mt -66.55 -60.19 2.95 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.797 0.332 . . . . 0.0 110.755 -179.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.405 ' O ' ' N ' ' A' ' 68' ' ' GLY . . . -54.34 -45.07 72.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.349 179.724 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.37 -53.96 40.41 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.091 0.472 . . . . 0.0 110.519 179.819 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -62.07 -41.47 98.19 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.017 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -77.2 -26.35 52.73 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.515 -179.403 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 64' ' ' ALA . . . 103.01 2.0 48.69 Favored Glycine 0 CA--C 1.521 0.429 0 C-N-CA 120.69 -0.767 . . . . 0.0 114.366 178.759 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 31.6 m -102.96 173.41 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 117.244 0.522 . . . . 0.0 110.923 179.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -88.17 -179.63 46.98 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 121.146 -0.549 . . . . 0.0 114.117 -178.489 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.23 -16.41 61.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.332 -0.434 . . . . 0.0 111.643 178.754 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 7.4 p30 -111.73 14.41 21.13 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 111.622 0.231 . . . . 0.0 111.622 -179.679 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -93.79 -166.52 37.45 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.454 -0.879 . . . . 0.0 112.655 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -141.95 154.75 45.29 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.949 0.404 . . . . 0.0 111.369 -179.469 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.7 mp -113.15 136.61 52.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.362 179.56 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 5.6 p -83.84 -172.87 4.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.659 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.479 ' HB2' ' CD1' ' A' ' 13' ' ' PHE . 1.0 OUTLIER -81.45 -51.48 8.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.815 0.341 . . . . 0.0 110.453 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -55.5 -34.38 64.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.799 179.164 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -73.96 -42.06 61.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.947 179.125 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.481 ' CE1' ' OG1' ' A' ' 84' ' ' THR . 32.1 t80 -52.84 -51.42 61.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.79 179.194 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 10.7 mt -56.22 -49.14 77.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.215 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.66 -50.61 72.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.327 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 32.4 t -72.89 -43.49 59.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.894 -179.406 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.481 ' OG1' ' CE1' ' A' ' 80' ' ' PHE . 79.5 m -60.6 -47.42 86.28 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.99 0.424 . . . . 0.0 110.229 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -53.03 -49.66 65.82 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.279 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.443 ' O ' ' N ' ' A' ' 90' ' ' GLU . 77.8 m-20 -59.52 -40.06 85.9 Favored 'General case' 0 C--N 1.334 -0.083 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.346 -179.798 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 6.3 mt -58.33 -43.67 88.36 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.876 0.369 . . . . 0.0 110.28 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 10.2 mt -71.75 -34.5 52.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.247 179.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 30.6 m-85 -92.89 -74.81 0.51 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.606 -179.392 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 86' ' ' ASN . 0.0 OUTLIER -66.93 -157.17 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.981 -179.782 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.413 ' NE2' ' OH ' ' A' ' 62' ' ' TYR . 3.3 mp0 70.32 -90.22 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.903 -179.741 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 128.69 -179.47 16.6 Favored Glycine 0 C--N 1.331 0.295 0 C-N-CA 120.202 -0.999 . . . . 0.0 113.172 179.638 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -59.05 -63.06 1.44 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.13 0.49 . . . . 0.0 110.874 179.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.405 ' O ' ' HB2' ' A' ' 98' ' ' ARG . . . -59.03 -16.99 21.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.589 -0.732 . . . . 0.0 112.086 -179.334 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.91 -48.32 16.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.026 0.441 . . . . 0.0 110.454 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -72.22 -38.01 69.08 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.823 179.591 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 16.8 m-20 -69.29 -35.65 76.24 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.396 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.405 ' HB2' ' O ' ' A' ' 94' ' ' ALA . 5.7 mtp85 -62.14 -64.56 0.89 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.963 0.411 . . . . 0.0 111.482 -179.569 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 6.3 p -70.72 -39.69 76.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 112.842 0.682 . . . . 0.0 112.842 -177.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 2.7 tp -86.13 -26.58 25.14 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 119.967 -0.693 . . . . 0.0 112.217 -177.286 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -43.39 -62.87 2.31 Favored Glycine 0 CA--C 1.521 0.444 0 C-N-CA 120.521 -0.847 . . . . 0.0 112.329 179.465 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . 0.441 ' O ' ' CB ' ' A' ' 55' ' ' ALA . 35.5 Cg_exo -59.02 -19.6 49.27 Favored 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 122.489 2.126 . . . . 0.0 112.049 179.432 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 6.2 t -78.15 -50.56 19.28 Favored 'Isoleucine or valine' 0 C--O 1.232 0.172 0 C-N-CA 120.857 -0.337 . . . . 0.0 110.829 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 59.0 t -69.66 -34.58 61.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.108 0.48 . . . . 0.0 110.263 178.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.83 -56.96 13.72 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.735 179.297 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -45.83 -35.58 6.12 Favored Glycine 0 C--N 1.331 0.255 0 C-N-CA 120.934 -0.65 . . . . 0.0 112.627 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 13.5 mt -75.95 -39.01 36.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.628 0.251 . . . . 0.0 111.346 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 36.0 t -61.72 -35.05 65.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.965 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -61.67 -37.36 94.11 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.474 -0.869 . . . . 0.0 112.124 179.687 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -79.93 -26.47 40.11 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.525 0.202 . . . . 0.0 110.497 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 17.3 m -94.04 45.83 1.15 Allowed 'General case' 0 CA--C 1.52 -0.184 0 CA-C-O 121.334 0.588 . . . . 0.0 111.293 -178.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -166.68 108.33 0.69 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.221 -0.9 . . . . 0.0 110.313 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 2.3 mttp -95.03 3.35 54.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.425 179.041 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 25.4 p30 -104.37 -19.54 14.03 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-O 120.788 0.328 . . . . 0.0 110.596 179.484 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . 65.85 58.15 0.78 Allowed 'General case' 0 C--O 1.232 0.147 0 CA-C-N 116.283 -0.417 . . . . 0.0 112.006 179.099 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 55.6 p30 -114.59 -12.73 12.21 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.701 -0.227 . . . . 0.0 111.394 179.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 82.6 5.56 89.36 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.636 -0.793 . . . . 0.0 113.108 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -122.35 161.01 24.2 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.052 0.453 . . . . 0.0 111.516 -179.556 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 27.3 mm -108.81 99.99 9.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.823 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . 0.433 ' O ' ' N ' ' A' ' 123' ' ' GLU . 1.5 m120 -84.95 155.73 21.49 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 179.191 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -45.75 -36.63 5.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.582 0.23 . . . . 0.0 111.531 -178.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -70.1 -28.74 65.65 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.696 0.284 . . . . 0.0 110.371 179.305 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 120' ' ' ASN . 35.7 mt-10 -83.66 -47.62 11.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.614 -0.266 . . . . 0.0 110.782 179.331 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -55.8 -44.46 77.81 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.126 0.489 . . . . 0.0 110.453 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -58.21 -43.99 87.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.08 179.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -54.57 -32.7 59.01 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 115.921 -0.581 . . . . 0.0 112.553 -179.4 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' TRP . . . . . 0.405 ' NE1' HD12 ' A' ' 131' ' ' LEU . 15.8 t90 -89.49 -32.82 17.02 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.708 0.29 . . . . 0.0 111.671 -178.671 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.77 -46.18 86.4 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.922 0.391 . . . . 0.0 110.724 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' THR . . . . . 0.418 ' HA ' ' O ' ' A' ' 133' ' ' MET . 36.0 p -69.8 -22.34 63.32 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.994 178.704 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -66.36 -39.11 88.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.433 179.72 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.405 HD12 ' NE1' ' A' ' 127' ' ' TRP . 1.3 mt -88.36 -4.99 58.57 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 112.781 0.66 . . . . 0.0 112.781 -178.307 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 114.7 25.98 3.78 Favored Glycine 0 CA--C 1.517 0.218 0 C-N-CA 119.813 -1.185 . . . . 0.0 113.972 178.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' MET . . . . . 0.418 ' O ' ' HA ' ' A' ' 129' ' ' THR . 2.9 mmt -104.2 152.44 22.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 117.529 0.665 . . . . 0.0 110.615 179.422 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.18 160.07 24.45 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.863 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 3.2 mtpp -64.28 -22.13 66.84 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 111.952 0.353 . . . . 0.0 111.952 -178.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -81.71 -25.64 35.29 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.854 0.359 . . . . 0.0 111.403 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -73.19 -40.18 64.99 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.45 -179.63 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -61.08 -56.22 23.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.866 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -47.51 -42.22 22.65 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.965 179.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -70.91 -45.32 64.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.334 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . 0.401 ' O ' ' HG2' ' A' ' 144' ' ' GLN . . . -64.04 -33.97 76.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.198 -179.524 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 81.1 t80 -56.69 -60.51 3.45 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.117 0.484 . . . . 0.0 110.197 179.327 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 67.6 m-20 -56.67 -34.95 67.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.542 -0.754 . . . . 0.0 112.537 -179.552 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 144' ' ' GLN . . . . . 0.401 ' HG2' ' O ' ' A' ' 141' ' ' ALA . 2.3 pt20 -69.75 -28.58 65.9 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-O 120.725 0.298 . . . . 0.0 111.339 -179.005 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . 0.448 ' O ' ' N ' ' A' ' 147' ' ' THR . 44.6 t -85.78 -35.84 9.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.176 -0.466 . . . . 0.0 112.044 -178.465 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.75 78.08 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.047 0.451 . . . . 0.0 111.138 -179.388 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 147' ' ' THR . . . . . 0.448 ' N ' ' O ' ' A' ' 145' ' ' VAL . 0.0 OUTLIER -56.86 -31.36 64.72 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.675 179.463 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 48.6 p30 -97.85 5.11 49.45 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.23 -0.441 . . . . 0.0 112.074 -178.72 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 39.79 37.73 0.99 Allowed Glycine 0 C--N 1.335 0.511 0 C-N-CA 121.097 -0.573 . . . . 0.0 113.151 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 27.9 p-10 -92.89 -6.61 48.26 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 111.596 0.221 . . . . 0.0 111.596 -179.692 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 89.58 3.54 74.46 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.547 -0.835 . . . . 0.0 113.424 179.147 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -134.0 135.49 43.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 117.426 0.613 . . . . 0.0 110.772 179.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 32.6 mt -102.91 100.04 9.98 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.915 178.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 23.9 p -88.29 171.77 9.93 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.281 0.562 . . . . 0.0 111.887 -178.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -50.79 -45.27 59.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.406 -0.815 . . . . 0.0 111.667 -179.604 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -57.15 -55.55 33.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.335 0.588 . . . . 0.0 111.106 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -64.79 -17.58 64.32 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.407 -0.815 . . . . 0.0 112.517 -178.496 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 1.6 mt -72.6 -65.44 0.79 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.915 0.388 . . . . 0.0 110.944 179.479 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 3.0 mt . . . . . 0 N--CA 1.468 0.464 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.054 -179.722 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 30.2 mm . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.966 0.412 . . . . 0.0 111.228 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.25 -37.5 87.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.9 -179.403 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.9 t -59.68 -59.09 6.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.888 0.375 . . . . 0.0 110.862 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -45.3 -49.04 13.0 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.742 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.49 -46.15 89.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.68 -179.098 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 55.0 mt -76.08 -33.04 59.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.79 0.328 . . . . 0.0 111.223 -179.162 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.26 -47.99 83.49 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.459 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.5 mttt -66.25 -44.94 82.25 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.59 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.1 -28.66 1.84 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.723 179.598 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 43.1 t80 -75.36 -53.03 9.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.382 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -67.75 -28.3 67.52 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.543 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.7 ttp180 -76.55 -17.96 58.94 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.279 179.675 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -116.85 83.15 1.92 Allowed 'General case' 0 N--CA 1.455 -0.223 0 CA-C-O 121.079 0.466 . . . . 0.0 110.844 -179.839 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -153.41 86.36 1.22 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.574 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -52.92 -50.77 63.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.419 -0.81 . . . . 0.0 112.009 -178.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 26.6 p-10 -99.22 -11.32 21.42 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 -179.121 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 69.34 42.88 72.82 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.405 -0.902 . . . . 0.0 112.112 -179.691 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 20.0 p-10 -89.34 -4.85 57.93 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 111.81 0.3 . . . . 0.0 111.81 -179.322 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 82.17 18.98 65.78 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.561 -0.828 . . . . 0.0 112.811 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -154.66 179.61 8.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.621 0.248 . . . . 0.0 110.552 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.3 tp -118.75 123.31 44.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.737 0.303 . . . . 0.0 110.63 179.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -115.76 170.7 8.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.015 0.436 . . . . 0.0 110.395 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.421 ' HA ' ' CD2' ' A' ' 60' ' ' PHE . 0.0 OUTLIER -69.59 -30.6 68.4 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.634 179.795 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.38 -16.26 63.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.132 179.585 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.29 -33.61 63.29 Favored 'General case' 0 C--O 1.232 0.146 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 179.095 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.414 ' HB3' ' HB3' ' A' ' 56' ' ' PHE . 57.1 m-85 -75.21 -41.18 58.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.386 179.561 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -64.47 -39.92 94.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.959 179.376 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 55.7 mttm -66.44 -40.54 89.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.127 0.489 . . . . 0.0 109.805 179.107 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.408 ' O ' HG13 ' A' ' 36' ' ' ILE . 4.9 tp10 -53.06 -60.46 3.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.063 179.432 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -45.2 -49.33 12.29 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.902 0.382 . . . . 0.0 111.316 179.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -62.37 -47.41 84.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.273 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 1.7 t-160 -57.04 -42.78 81.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.803 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.408 HG13 ' O ' ' A' ' 32' ' ' GLU . 19.9 mt -64.05 -56.28 17.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.719 179.652 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -42.48 -39.18 2.16 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 121.09 0.471 . . . . 0.0 111.021 179.652 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.38 -39.4 90.56 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.258 179.617 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.39 -25.94 64.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.971 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.429 ' CZ ' ' SG ' ' A' ' 111' ' ' CYS . 1.8 m-85 -91.94 3.21 55.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.389 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 51.68 72.01 0.57 Allowed Glycine 0 C--N 1.333 0.387 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.98 179.512 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -150.45 28.89 0.71 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.76 0.314 . . . . 0.0 110.377 179.716 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 60.48 131.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.187 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.91 -8.75 39.3 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.703 -0.68 . . . . 0.0 112.265 -179.483 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -104.06 13.86 52.3 Favored Glycine 0 CA--C 1.52 0.377 0 C-N-CA 120.216 -0.992 . . . . 0.0 114.146 -178.694 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.92 171.76 7.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 117.241 0.52 . . . . 0.0 111.151 179.416 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.59 -45.91 67.51 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.096 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -63.57 -20.89 66.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.499 -179.298 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 14.6 t -76.88 -45.73 30.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 179.521 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 36.2 tp60 -60.06 -39.1 84.86 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 178.733 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 14.6 m -57.42 -59.62 4.87 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.667 179.298 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 24.9 tp -50.69 -57.28 8.67 Favored 'General case' 0 C--N 1.332 -0.163 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.408 -179.525 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 11.0 tttp -49.78 -43.58 48.39 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.714 0.292 . . . . 0.0 110.436 179.44 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -57.65 -43.4 84.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.033 179.508 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.31 -51.47 36.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.681 179.331 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.414 ' HB3' ' HB3' ' A' ' 29' ' ' PHE . 0.1 OUTLIER -52.44 -28.49 20.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.601 179.689 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -67.55 -52.28 31.3 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.55 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -57.76 -28.42 60.27 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.643 -0.789 . . . . 0.0 111.999 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 51.5 tp -59.34 -39.24 82.54 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.712 0.291 . . . . 0.0 110.813 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.421 ' CD2' ' HA ' ' A' ' 26' ' ' ARG . 11.8 t80 -61.13 -43.48 98.82 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.239 179.468 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -43.87 -42.59 5.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.761 0.315 . . . . 0.0 111.11 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.413 ' O ' ' HB2' ' A' ' 66' ' ' GLU . 13.7 t80 -59.25 -41.87 89.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.493 179.613 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 59.5 mt -63.64 -54.29 38.02 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.115 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.407 ' HA ' ' CG2' ' A' ' 69' ' ' VAL . . . -53.81 -48.72 69.6 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 16.0 tttt -64.4 -50.84 66.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.734 0.302 . . . . 0.0 111.386 -179.433 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.413 ' HB2' ' O ' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -62.64 -40.24 96.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.254 179.733 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -78.55 -25.33 45.41 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.815 0.341 . . . . 0.0 111.607 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 101.02 6.93 51.24 Favored Glycine 0 CA--C 1.52 0.397 0 C-N-CA 120.612 -0.804 . . . . 0.0 113.946 179.036 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.407 ' CG2' ' HA ' ' A' ' 64' ' ' ALA . 35.2 m -106.04 170.92 2.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.845 0.322 . . . . 0.0 110.487 179.494 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -86.9 178.58 48.44 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.875 -0.679 . . . . 0.0 114.122 -178.45 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 54.5 m -65.21 -13.14 57.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.266 -0.467 . . . . 0.0 111.097 178.207 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -112.49 12.63 20.02 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 116.776 -0.193 . . . . 0.0 111.496 -179.746 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -94.66 -165.18 35.87 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.469 -0.872 . . . . 0.0 112.779 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -144.15 157.04 44.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.845 0.355 . . . . 0.0 110.924 -179.759 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.7 mp -118.07 142.54 47.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.535 179.325 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 59.6 p -86.77 169.11 12.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.934 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -60.38 -48.51 81.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.609 179.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -59.11 -33.46 70.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.798 179.645 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -73.21 -42.9 62.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.022 0.439 . . . . 0.0 110.189 179.336 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.424 ' CD1' ' OG1' ' A' ' 84' ' ' THR . 7.4 t80 -52.27 -52.78 50.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.606 179.364 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.406 ' O ' ' HB2' ' A' ' 85' ' ' GLU . 62.7 mt -51.31 -53.78 14.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.877 -179.455 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -55.94 -57.19 13.13 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.395 0.517 . . . . 0.0 112.395 -179.036 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 13.9 p -70.48 -36.73 67.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 111.957 0.354 . . . . 0.0 111.957 -179.059 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.424 ' OG1' ' CD1' ' A' ' 80' ' ' PHE . 99.6 m -62.7 -46.88 86.08 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.836 0.35 . . . . 0.0 110.143 179.753 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.406 ' HB2' ' O ' ' A' ' 81' ' ' ILE . 0.4 OUTLIER -49.69 -49.78 46.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.454 -179.743 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -58.29 -34.93 71.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.714 -179.25 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 6.2 mt -59.8 -48.78 80.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.767 0.317 . . . . 0.0 111.077 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 3.0 mt -73.67 -39.34 53.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.085 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 -88.06 -84.49 0.2 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.786 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -62.2 -161.88 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.821 0.343 . . . . 0.0 110.718 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 74.01 125.96 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.962 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -61.02 159.02 28.96 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.714 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.88 -54.41 45.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.887 0.375 . . . . 0.0 111.172 -179.658 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.86 -11.12 11.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.017 -0.538 . . . . 0.0 112.398 -179.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.8 t -74.56 -44.39 51.21 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.928 0.394 . . . . 0.0 111.016 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -68.34 -42.71 78.9 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.096 0.474 . . . . 0.0 110.8 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 41.8 t30 -67.15 -35.42 79.66 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.342 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.89 -62.69 1.48 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.93 -179.456 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 21.6 t -74.3 -36.21 42.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 N-CA-C 112.64 0.607 . . . . 0.0 112.64 -177.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 5.4 tp -89.17 -27.11 20.9 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 119.72 -0.792 . . . . 0.0 111.806 -178.165 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.44 ' N ' ' HD2' ' A' ' 102' ' ' PRO . . . -40.55 -58.58 2.5 Favored Glycine 0 CA--C 1.522 0.501 0 C-N-CA 121.114 -0.565 . . . . 0.0 112.847 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . 0.44 ' HD2' ' N ' ' A' ' 101' ' ' GLY . 29.4 Cg_endo -65.03 -11.39 29.61 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.55 2.167 . . . . 0.0 112.405 179.564 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 48.0 t -80.57 -54.98 9.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.933 0.397 . . . . 0.0 110.841 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.402 HG13 HD23 ' A' ' 158' ' ' LEU . 3.3 t -69.39 -35.82 68.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.89 179.771 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 21.6 mtpt -56.57 -55.26 36.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.82 179.542 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -46.09 -32.1 4.71 Favored Glycine 0 C--N 1.332 0.336 0 C-N-CA 121.04 -0.6 . . . . 0.0 112.788 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 42.9 mt -73.56 -40.37 55.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.134 0.492 . . . . 0.0 110.752 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 33.6 t -63.96 -35.02 72.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.659 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -65.41 -36.45 92.65 Favored Glycine 0 CA--C 1.518 0.253 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.858 -179.671 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 14.8 ptp -79.28 -24.95 42.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.799 0.299 . . . . 0.0 110.993 -179.349 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . 0.482 ' O ' ' N ' ' A' ' 113' ' ' LYS . 35.6 t -95.26 -84.99 0.33 Allowed 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.51 0.559 . . . . 0.0 112.51 -178.156 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . 0.443 ' O ' ' HB2' ' A' ' 113' ' ' LYS . 3.9 m-20 19.35 -81.02 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 124.332 1.053 . . . . 0.0 112.449 -178.587 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' A' ' 111' ' ' CYS . 0.1 OUTLIER 91.69 -20.77 0.11 Allowed 'General case' 0 N--CA 1.457 -0.124 0 C-N-CA 124.274 1.03 . . . . 0.0 111.422 -178.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -107.35 -22.45 12.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.669 0.271 . . . . 0.0 110.535 179.445 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . 67.42 64.66 0.41 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.655 179.462 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 37.7 p30 -125.28 -8.77 7.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.733 179.309 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 79.55 8.16 87.95 Favored Glycine 0 C--N 1.333 0.392 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.973 179.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.88 165.5 15.11 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.051 0.453 . . . . 0.0 111.394 -179.545 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.413 ' HB ' ' HB2' ' A' ' 153' ' ' LEU . 38.4 mm -110.33 98.53 7.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.832 -179.698 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -85.43 158.8 20.12 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 179.32 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . 0.425 ' HA ' ' CD1' ' A' ' 142' ' ' PHE . . . -48.77 -37.25 18.49 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 111.567 0.21 . . . . 0.0 111.567 -178.862 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -70.23 -26.67 63.96 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 179.207 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -83.96 -46.8 11.68 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 178.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -56.46 -52.41 64.78 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.962 0.411 . . . . 0.0 110.915 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -54.98 -44.21 74.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.075 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -55.35 -32.45 62.56 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.519 -179.712 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 13.3 t90 -86.53 -40.67 15.02 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 111.62 0.23 . . . . 0.0 111.62 -179.129 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.423 ' O ' ' CG ' ' A' ' 133' ' ' MET . 0.2 OUTLIER -59.56 -42.82 93.29 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.021 0.438 . . . . 0.0 109.84 179.88 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 65.3 p -71.72 -22.92 61.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.911 178.4 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -66.41 -38.55 87.71 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.757 179.458 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 48.6 mt -84.82 -4.37 59.05 Favored 'General case' 0 CA--C 1.529 0.16 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 -178.609 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 112.67 25.82 4.43 Favored Glycine 0 C--N 1.332 0.321 0 C-N-CA 120.168 -1.015 . . . . 0.0 113.815 178.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' MET . . . . . 0.423 ' CG ' ' O ' ' A' ' 128' ' ' LEU . 3.4 mmt -100.08 154.25 18.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 117.159 0.479 . . . . 0.0 110.34 179.256 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -80.25 179.01 7.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.804 0.335 . . . . 0.0 111.147 -179.458 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.93 -32.61 45.67 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.842 -179.181 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -76.56 -26.06 54.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.856 0.36 . . . . 0.0 111.42 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -73.89 -44.98 53.53 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.944 -179.214 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -58.05 -52.07 67.04 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.911 0.386 . . . . 0.0 110.671 -179.564 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -49.72 -40.4 40.48 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.105 179.399 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -71.6 -44.07 65.09 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.768 -179.515 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -63.6 -36.72 84.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.52 -179.077 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 142' ' ' PHE . . . . . 0.425 ' CD1' ' HA ' ' A' ' 121' ' ' ALA . 74.0 t80 -55.49 -59.85 4.25 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.652 179.605 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 32.5 m-80 -56.37 -35.38 67.64 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.852 -179.528 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -65.13 -34.18 77.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.505 -179.441 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . 0.457 ' O ' ' N ' ' A' ' 147' ' ' THR . 12.4 t -85.15 -34.32 8.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 112.577 0.584 . . . . 0.0 112.577 -178.429 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.1 78.35 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 121.141 0.496 . . . . 0.0 111.209 -179.081 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 147' ' ' THR . . . . . 0.457 ' N ' ' O ' ' A' ' 145' ' ' VAL . 4.0 m -56.39 -33.83 66.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.405 -0.816 . . . . 0.0 112.955 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 31.0 p30 -95.92 7.41 46.44 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.491 0.552 . . . . 0.0 112.491 -178.205 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 43.01 28.25 0.7 Allowed Glycine 0 C--N 1.332 0.325 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.844 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 28.4 p-10 -86.58 -7.04 58.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.774 0.321 . . . . 0.0 110.87 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 86.98 7.02 78.41 Favored Glycine 0 N--CA 1.444 -0.789 0 C-N-CA 120.691 -0.766 . . . . 0.0 113.108 179.337 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 74.9 mt-10 -133.07 133.45 43.02 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 117.528 0.664 . . . . 0.0 110.851 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . 0.413 ' HB2' ' HB ' ' A' ' 119' ' ' ILE . 43.7 mt -98.37 101.5 12.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.154 179.11 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 9.6 p -89.19 167.48 13.07 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.242 0.544 . . . . 0.0 112.165 -178.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -49.91 -46.07 51.57 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.35 -0.841 . . . . 0.0 111.292 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -57.44 -54.76 43.21 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.066 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -64.67 -19.34 65.67 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.731 -0.668 . . . . 0.0 112.441 -178.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 158' ' ' LEU . . . . . 0.402 HD23 HG13 ' A' ' 104' ' ' VAL . 0.2 OUTLIER -72.01 -56.9 4.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.663 179.562 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 2.5 mt . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.253 -179.645 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 23.9 mm . . . . . 0 N--CA 1.456 -0.173 0 CA-C-O 120.98 0.419 . . . . 0.0 110.235 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.44 -52.31 62.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.701 -0.682 . . . . 0.0 111.433 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 p -58.98 -52.16 66.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.818 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.69 -52.77 54.55 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.634 -179.644 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.59 -46.07 90.01 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 -178.612 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.415 HD11 ' CG2' ' A' ' 81' ' ' ILE . 13.7 mt -75.27 -33.14 61.22 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 121.075 -0.25 . . . . 0.0 111.5 -178.871 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.04 -44.64 97.09 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.844 0.354 . . . . 0.0 110.602 179.742 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.414 ' O ' ' N ' ' A' ' 15' ' ' ARG . 5.0 mmtm -68.65 -45.1 72.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.182 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -46.77 -33.86 4.76 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.983 0.42 . . . . 0.0 111.006 179.678 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -74.81 -54.53 7.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.874 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -69.51 -17.89 63.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.311 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.414 ' N ' ' O ' ' A' ' 11' ' ' LYS . 2.5 ttt180 -72.63 -21.94 61.03 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.723 0.297 . . . . 0.0 111.066 -179.646 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 43.1 m95 -97.02 -100.23 0.19 Allowed 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.875 179.652 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 42.25 72.04 0.19 Allowed 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 121.144 0.497 . . . . 0.0 111.413 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -53.91 -50.35 66.59 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.77 -178.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 41.1 p-10 -97.84 -11.88 22.77 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 111.767 0.284 . . . . 0.0 111.767 -179.594 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 78.33 43.48 12.88 Favored Glycine 0 C--N 1.331 0.28 0 C-N-CA 120.535 -0.84 . . . . 0.0 111.9 -179.294 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 32.3 p-10 -93.1 -12.62 30.04 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 111.855 0.317 . . . . 0.0 111.855 -179.488 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 81.69 20.83 62.92 Favored Glycine 0 C--N 1.332 0.309 0 C-N-CA 120.533 -0.842 . . . . 0.0 112.523 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -153.92 173.35 16.07 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.654 0.264 . . . . 0.0 110.561 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 43.2 mt -113.89 115.13 27.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.8 0.333 . . . . 0.0 110.307 179.435 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -114.24 171.29 7.7 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.08 0.467 . . . . 0.0 110.425 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 8.4 ttt-85 -64.44 -32.06 73.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.568 179.617 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.11 -21.46 64.04 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.681 -0.691 . . . . 0.0 111.618 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.01 -32.48 70.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.798 0.332 . . . . 0.0 110.156 179.797 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 73.6 m-85 -78.4 -40.88 34.76 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.367 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 -62.25 -37.71 86.48 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.63 -0.259 . . . . 0.0 110.408 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -65.89 -44.4 85.39 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.967 0.413 . . . . 0.0 110.115 179.505 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -52.45 -53.15 49.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.512 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -50.44 -51.55 45.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.809 0.338 . . . . 0.0 110.734 179.48 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.54 -49.39 77.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.162 179.539 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 35.5 t-80 -51.99 -27.1 12.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.374 179.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 17.6 mm -79.23 -53.45 13.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.023 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -46.12 -44.65 15.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.607 -179.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.77 -40.99 97.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.616 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -54.4 -24.15 18.66 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.722 0.296 . . . . 0.0 110.858 -179.367 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -91.85 5.05 51.42 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.496 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 57.7 16.69 24.38 Favored Glycine 0 C--N 1.336 0.538 0 C-N-CA 120.85 -0.69 . . . . 0.0 112.776 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.85 -153.3 0.35 Allowed 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 110.34 -0.244 . . . . 0.0 110.34 179.73 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.422 ' CB ' ' HB1' ' A' ' 46' ' ' ALA . 1.9 m-20 -70.51 -163.5 0.07 Allowed 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.863 0.363 . . . . 0.0 111.088 -179.592 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -141.4 -58.93 0.49 Allowed 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 178.131 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -92.94 22.8 32.24 Favored Glycine 0 N--CA 1.453 -0.222 0 CA-C-N 114.962 -1.017 . . . . 0.0 112.08 179.591 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.422 ' HB1' ' CB ' ' A' ' 43' ' ' ASP . . . -69.55 -163.76 0.06 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 117.343 0.571 . . . . 0.0 110.894 179.51 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -83.66 -51.77 7.0 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.848 0.356 . . . . 0.0 110.681 179.379 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -54.48 -34.38 61.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.229 -179.549 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 3.2 t -77.72 -43.1 29.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.004 179.569 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.08 -44.61 95.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.224 178.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.442 HG21 ' N ' ' A' ' 52' ' ' LEU . 14.4 t -61.62 -49.81 75.1 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.084 179.749 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.442 ' N ' HG21 ' A' ' 51' ' ' THR . 9.4 tp -53.89 -58.75 6.11 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 179.536 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.46 -37.41 56.98 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.353 179.038 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -57.66 -41.5 81.64 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.923 0.392 . . . . 0.0 110.231 179.669 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.71 -40.2 84.29 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.944 179.487 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -59.95 -32.8 71.15 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -62.81 -49.56 71.7 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.535 -0.84 . . . . 0.0 112.096 179.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -57.93 -33.93 70.28 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.717 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 6.3 tt -55.65 -38.71 69.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.948 0.404 . . . . 0.0 110.481 179.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 37.5 t80 -62.18 -46.49 88.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.089 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -42.57 -48.61 5.4 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.495 -179.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.471 ' CE1' ' OE1' ' A' ' 66' ' ' GLU . 4.4 t80 -57.77 -37.98 74.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.103 -179.864 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 20.5 mt -66.47 -59.3 3.79 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.832 0.349 . . . . 0.0 110.956 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.436 ' HA ' ' CG2' ' A' ' 69' ' ' VAL . . . -50.36 -46.21 55.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.816 -179.565 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.87 -51.1 61.64 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.939 0.399 . . . . 0.0 111.05 -179.793 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.471 ' OE1' ' CE1' ' A' ' 62' ' ' TYR . 2.6 tp10 -62.32 -40.65 97.05 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.886 179.649 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -79.09 -26.06 43.01 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.686 -179.56 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 103.16 4.37 47.6 Favored Glycine 0 CA--C 1.519 0.323 0 C-N-CA 120.527 -0.844 . . . . 0.0 113.857 179.066 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.436 ' CG2' ' HA ' ' A' ' 64' ' ' ALA . 32.5 m -104.75 171.52 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.936 0.368 . . . . 0.0 110.565 179.531 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -88.24 -179.39 46.93 Favored Glycine 0 C--N 1.331 0.3 0 C-N-CA 120.837 -0.697 . . . . 0.0 113.978 -178.588 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.95 -12.64 52.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.402 -0.399 . . . . 0.0 111.153 178.296 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -113.45 13.89 18.99 Favored 'General case' 0 CA--C 1.53 0.175 0 N-CA-C 111.509 0.189 . . . . 0.0 111.509 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -94.54 -165.93 36.23 Favored Glycine 0 C--N 1.331 0.276 0 C-N-CA 120.451 -0.881 . . . . 0.0 112.809 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.31 154.35 44.62 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.14 0.495 . . . . 0.0 111.729 -179.128 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -113.62 137.93 50.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.064 179.205 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 56.9 p -85.59 167.2 15.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.658 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -58.85 -50.83 72.51 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.045 0.45 . . . . 0.0 110.508 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -58.12 -32.78 68.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.648 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -73.62 -42.5 61.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.087 179.125 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -53.31 -52.76 58.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.964 179.513 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.415 ' CG2' HD11 ' A' ' 9' ' ' LEU . 56.7 mt -53.47 -51.57 40.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.766 -179.42 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 93.4 mtt180 -55.85 -54.35 45.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.618 -179.555 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 45.1 t -70.58 -35.89 63.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 C-N-CA 120.965 -0.294 . . . . 0.0 111.277 -179.557 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 28.9 m -61.78 -47.91 83.03 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 179.249 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -46.06 -57.39 4.49 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.111 179.343 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.433 ' O ' ' N ' ' A' ' 90' ' ' GLU . 0.9 OUTLIER -59.74 -35.91 75.54 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.372 -179.849 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.1 mt -58.94 -45.21 91.01 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.884 0.374 . . . . 0.0 110.586 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 5.2 mt -74.39 -38.86 47.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.523 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 -91.27 -79.15 0.37 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 86' ' ' ASN . 1.7 tt0 -57.19 -159.51 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.948 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 68.3 -89.2 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.767 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 129.8 -179.89 16.48 Favored Glycine 0 C--N 1.331 0.298 0 C-N-CA 120.105 -1.045 . . . . 0.0 113.42 179.678 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -60.44 -65.18 0.73 Allowed 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.192 0.442 . . . . 0.0 112.192 -179.533 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -55.07 -18.28 5.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.769 -0.65 . . . . 0.0 112.641 -178.393 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 65.2 m -77.1 -46.5 23.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.975 0.417 . . . . 0.0 110.385 179.568 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -71.5 -40.12 70.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.905 179.487 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 23.8 t30 -68.69 -36.25 78.24 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.005 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 66.4 ttt180 -63.01 -60.49 3.38 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.561 -179.519 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 46.3 t -76.0 -35.84 30.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 N-CA-C 112.489 0.552 . . . . 0.0 112.489 -178.31 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 9.9 tp -88.97 -25.97 21.75 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 119.668 -0.813 . . . . 0.0 111.922 -178.169 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.418 ' N ' ' HD2' ' A' ' 102' ' ' PRO . . . -42.56 -62.59 2.15 Favored Glycine 0 CA--C 1.52 0.397 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.457 179.531 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . 0.418 ' HD2' ' N ' ' A' ' 101' ' ' GLY . 26.9 Cg_endo -61.52 -16.57 48.67 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.902 2.402 . . . . 0.0 112.152 179.261 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 89.0 t -80.57 -51.75 15.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.164 179.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 5.6 t -69.7 -34.5 61.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.134 179.013 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.405 ' HB2' ' O ' ' A' ' 101' ' ' GLY . 1.0 OUTLIER -56.7 -54.27 48.14 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.324 179.082 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -46.92 -37.84 9.8 Favored Glycine 0 C--N 1.331 0.263 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.119 179.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 5.9 mt -74.36 -39.79 49.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.841 0.353 . . . . 0.0 111.09 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.414 ' CG1' HD13 ' A' ' 119' ' ' ILE . 85.9 t -62.8 -34.1 63.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.626 179.764 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -60.86 -38.76 95.85 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.107 179.493 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 22.2 mtp -79.79 -25.15 41.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.747 0.308 . . . . 0.0 110.23 179.5 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 49.2 t -92.37 42.49 1.1 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.176 0.512 . . . . 0.0 111.388 -178.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -167.41 109.15 0.63 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.475 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.03 3.36 54.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.375 178.751 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -103.98 -15.5 15.6 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-O 120.566 0.222 . . . . 0.0 110.925 179.721 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . 65.34 58.49 0.85 Allowed 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 112.076 0.398 . . . . 0.0 112.076 179.247 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 52.8 p-10 -115.65 -13.9 11.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.259 179.393 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 79.6 10.1 86.18 Favored Glycine 0 C--N 1.333 0.379 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.988 179.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -123.33 163.11 21.4 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.01 0.434 . . . . 0.0 111.385 -179.395 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.433 HD11 HG22 ' A' ' 119' ' ' ILE . 34.5 mm -109.95 100.4 10.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.33 -179.633 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . 0.405 ' O ' ' N ' ' A' ' 123' ' ' GLU . 1.1 m120 -83.43 160.85 21.48 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 179.389 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -51.32 -36.95 45.14 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.8 0.333 . . . . 0.0 110.574 -179.511 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.79 -26.04 64.08 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 178.693 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 120' ' ' ASN . 7.4 mt-10 -83.52 -47.71 11.04 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.317 -0.401 . . . . 0.0 109.926 178.796 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -57.63 -46.9 83.54 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.96 0.41 . . . . 0.0 110.567 179.61 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -57.24 -47.03 82.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.961 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -54.23 -31.92 54.54 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.648 -179.577 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 27.2 t90 -82.94 -42.07 18.08 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 111.999 0.37 . . . . 0.0 111.999 -178.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.4 ' O ' ' HG2' ' A' ' 133' ' ' MET . 0.7 OUTLIER -60.24 -44.16 95.48 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.71 0.29 . . . . 0.0 111.329 -179.255 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' THR . . . . . 0.423 ' HA ' ' O ' ' A' ' 133' ' ' MET . 0.6 OUTLIER -71.09 -22.26 62.12 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.771 -0.372 . . . . 0.0 110.408 179.207 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -67.93 -38.82 83.34 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.989 179.354 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 14.4 mt -86.85 -1.75 58.04 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -178.506 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 110.01 26.72 4.84 Favored Glycine 0 CA--C 1.518 0.255 0 C-N-CA 120.007 -1.092 . . . . 0.0 113.862 178.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' MET . . . . . 0.423 ' O ' ' HA ' ' A' ' 129' ' ' THR . 9.4 mmt -103.23 153.94 19.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 117.309 0.554 . . . . 0.0 110.56 179.394 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 13.6 t -82.01 156.87 24.43 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.797 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.58 -22.38 65.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.721 0.296 . . . . 0.0 111.515 -179.438 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -81.36 -27.2 34.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.946 0.403 . . . . 0.0 110.968 179.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -72.34 -39.9 67.81 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.63 -179.284 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -60.37 -54.94 39.59 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.981 0.42 . . . . 0.0 110.643 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -49.38 -42.91 43.55 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.238 179.572 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -69.8 -49.71 50.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.689 -179.421 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -61.69 -36.23 80.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.607 -178.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 40.3 t80 -55.6 -58.73 6.59 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.09 179.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -58.19 -34.17 70.07 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 116.016 -0.538 . . . . 0.0 112.221 -179.633 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -65.58 -39.09 91.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.147 -0.479 . . . . 0.0 112.061 -178.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . 0.456 ' O ' ' N ' ' A' ' 147' ' ' THR . 8.7 p -83.48 -33.96 10.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.201 -0.454 . . . . 0.0 112.173 -178.094 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . 0.448 ' N ' HG11 ' A' ' 145' ' ' VAL . 0.9 OUTLIER -59.56 77.69 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.322 -179.008 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 147' ' ' THR . . . . . 0.456 ' N ' ' O ' ' A' ' 145' ' ' VAL . 1.4 m -58.85 -32.23 69.23 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.882 -0.599 . . . . 0.0 112.132 179.478 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 148' ' ' ASN . . . . . 0.417 ' ND2' ' OE1' ' A' ' 157' ' ' GLU . 49.4 p30 -94.57 2.69 55.66 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 -178.006 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 40.7 35.77 0.95 Allowed Glycine 0 C--N 1.332 0.349 0 C-N-CA 121.081 -0.581 . . . . 0.0 113.42 179.55 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 27.6 p-10 -91.65 -6.04 52.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.677 0.275 . . . . 0.0 111.405 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 85.83 7.34 81.33 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.734 -0.746 . . . . 0.0 113.35 179.147 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -135.17 135.99 41.49 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 117.287 0.543 . . . . 0.0 111.143 -179.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . 0.418 ' CB ' ' HB ' ' A' ' 119' ' ' ILE . 8.1 mt -101.71 105.54 16.46 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.828 179.264 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.03 169.31 10.52 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.163 0.506 . . . . 0.0 111.761 -179.606 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 6.3 tp -51.07 -45.56 61.44 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.178 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.12 -55.83 28.23 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.255 -179.52 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 157' ' ' GLU . . . . . 0.417 ' OE1' ' ND2' ' A' ' 148' ' ' ASN . 5.8 mt-10 -65.41 -13.67 59.19 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 -178.698 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.33 -39.01 71.64 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.041 0.448 . . . . 0.0 110.325 179.282 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 1.3 mt . . . . . 0 C--N 1.331 -0.216 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.351 179.741 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 29.0 mt . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.974 0.416 . . . . 0.0 111.533 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.05 -42.82 99.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.867 -179.182 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -61.15 -55.51 31.52 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.718 -179.429 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -46.92 -51.61 16.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.002 -0.544 . . . . 0.0 112.402 -178.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.35 -45.02 93.13 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 111.813 0.301 . . . . 0.0 111.813 -178.699 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 11.8 mt -75.39 -27.92 59.26 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.655 0.264 . . . . 0.0 111.547 -179.183 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -61.05 -55.99 26.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.665 0.269 . . . . 0.0 110.993 -179.574 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.32 -46.7 79.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.537 -0.302 . . . . 0.0 111.093 -179.803 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -45.64 -28.47 0.99 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.918 0.39 . . . . 0.0 110.992 179.635 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 43.2 t80 -74.58 -59.1 2.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.079 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -70.06 -25.83 63.73 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.888 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.13 -16.94 61.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.539 -0.301 . . . . 0.0 111.026 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.401 ' CH2' ' CE2' ' A' ' 29' ' ' PHE . 2.9 t90 -108.3 14.14 25.12 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 111.773 0.286 . . . . 0.0 111.773 -179.76 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.87 77.64 5.33 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.976 0.417 . . . . 0.0 110.003 179.257 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -54.78 -50.59 68.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.673 -178.827 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 15.1 p-10 -97.35 -14.18 21.42 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 111.643 0.238 . . . . 0.0 111.643 -179.567 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 77.18 45.61 11.29 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.5 -0.857 . . . . 0.0 112.042 -179.587 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 38.7 p-10 -92.04 -10.22 39.95 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 111.777 0.288 . . . . 0.0 111.777 -179.456 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 79.34 20.49 69.33 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.53 -0.843 . . . . 0.0 112.187 -179.633 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -154.08 179.3 9.06 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.1 tp -115.46 117.56 30.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.897 0.38 . . . . 0.0 111.056 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -114.69 168.07 10.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.424 179.79 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 56.7 ttt180 -69.09 -29.68 67.82 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.391 -179.487 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.37 -18.28 64.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.282 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.48 -27.37 62.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.996 0.426 . . . . 0.0 110.114 179.22 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.401 ' CE2' ' CH2' ' A' ' 16' ' ' TRP . 37.1 m-85 -78.0 -40.83 37.84 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.179 -179.506 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -65.65 -36.94 85.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.366 179.442 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.57 -45.32 79.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.953 0.406 . . . . 0.0 110.42 179.419 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.449 ' OE1' ' CE2' ' A' ' 56' ' ' PHE . 2.1 tm-20 -51.07 -57.03 9.74 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.292 179.773 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -51.0 -45.8 61.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.053 0.454 . . . . 0.0 110.343 179.37 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.425 ' CG ' ' HE3' ' A' ' 53' ' ' LYS . 2.3 mm100 -61.85 -52.86 62.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.734 -0.667 . . . . 0.0 109.915 179.136 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 8.8 t60 -55.69 -29.9 60.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.495 179.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 17.0 mm -78.12 -54.6 12.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.825 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -43.97 -48.26 8.62 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.708 0.29 . . . . 0.0 111.341 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.78 -36.25 71.91 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 179.204 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -58.77 -33.76 70.65 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 178.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -90.13 2.59 55.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.702 179.089 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.408 ' O ' ' HB2' ' A' ' 42' ' ' LYS . . . 71.61 -148.77 44.06 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 121.041 -0.599 . . . . 0.0 112.738 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.408 ' HB2' ' O ' ' A' ' 41' ' ' GLY . 12.9 mttt 69.29 -99.02 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 122.717 0.407 . . . . 0.0 111.544 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -170.68 133.58 1.0 Allowed 'General case' 0 C--O 1.232 0.14 0 C-N-CA 120.726 -0.39 . . . . 0.0 111.702 -179.439 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.49 -9.34 48.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.598 179.712 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -102.44 14.41 56.62 Favored Glycine 0 C--N 1.332 0.352 0 C-N-CA 120.526 -0.845 . . . . 0.0 113.578 -179.002 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.87 -171.42 0.14 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.906 0.384 . . . . 0.0 110.863 179.575 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -88.9 -45.0 10.05 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.007 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -63.92 -20.06 65.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.955 -0.566 . . . . 0.0 112.167 -178.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 8.4 p -76.48 -43.19 35.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 C-N-CA 120.575 -0.45 . . . . 0.0 109.802 179.506 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 60.0 tp60 -60.04 -42.72 95.05 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 178.505 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 94.1 m -57.75 -56.3 23.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.596 178.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 31.2 tp -50.33 -60.56 2.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.205 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.425 ' HE3' ' CG ' ' A' ' 34' ' ' GLN . 12.9 mtpt -50.93 -39.3 54.35 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.754 -0.203 . . . . 0.0 110.69 179.517 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -59.55 -42.18 91.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.725 0.298 . . . . 0.0 110.464 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.05 -37.8 78.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.978 0.418 . . . . 0.0 110.577 179.095 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.449 ' CE2' ' OE1' ' A' ' 32' ' ' GLU . 0.5 OUTLIER -64.28 -32.15 73.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.741 179.753 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -66.53 -51.6 41.05 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.444 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -54.75 -31.94 54.25 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.583 -0.818 . . . . 0.0 112.713 -179.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.33 -38.12 76.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.663 0.268 . . . . 0.0 110.733 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.401 ' O ' ' N ' ' A' ' 63' ' ' LEU . 46.2 t80 -59.72 -47.65 84.81 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 179.526 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -42.17 -48.9 4.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.415 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 87.1 t80 -58.68 -36.08 73.62 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.929 0.395 . . . . 0.0 110.474 179.525 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.404 ' HB3' ' CD2' ' A' ' 75' ' ' LEU . 24.2 mt -64.6 -55.98 16.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.837 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.424 ' CB ' ' O ' ' A' ' 69' ' ' VAL . . . -54.82 -45.95 74.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.86 0.362 . . . . 0.0 111.307 179.693 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 27.0 ttpt -64.77 -53.94 39.14 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.973 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 -61.92 -41.22 97.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.025 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -77.87 -27.1 49.63 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.825 0.345 . . . . 0.0 111.583 -179.617 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 103.22 0.43 47.6 Favored Glycine 0 CA--C 1.521 0.454 0 C-N-CA 120.501 -0.857 . . . . 0.0 114.049 179.08 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.424 ' O ' ' CB ' ' A' ' 64' ' ' ALA . 29.5 m -101.27 173.04 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.962 0.381 . . . . 0.0 110.421 179.63 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -86.68 177.19 48.27 Favored Glycine 0 C--N 1.331 0.297 0 C-N-CA 120.88 -0.676 . . . . 0.0 114.487 -178.072 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 69.3 m -64.52 -15.6 61.17 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.21 -0.495 . . . . 0.0 110.983 178.247 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -110.66 13.25 22.52 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.005 179.638 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -96.21 -163.5 33.34 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.694 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -143.6 156.37 44.56 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.991 0.425 . . . . 0.0 111.341 -179.681 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.404 ' CD2' ' HB3' ' A' ' 63' ' ' LEU . 2.7 mp -118.78 140.01 50.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.062 179.317 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 54.5 p -85.53 176.03 8.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.854 0.359 . . . . 0.0 111.374 -179.512 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -65.72 -48.88 70.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.963 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -58.99 -34.62 72.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.659 179.695 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -74.34 -43.74 55.35 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.08 0.467 . . . . 0.0 110.404 179.373 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.473 ' CE1' ' OG1' ' A' ' 84' ' ' THR . 34.0 t80 -51.58 -57.54 8.83 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.735 179.444 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 9.1 mt -53.43 -44.22 54.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.566 -179.458 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 2.6 tpp180 -59.46 -56.71 18.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.789 -179.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 13.1 p -71.04 -35.89 61.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 N-CA-C 111.873 0.324 . . . . 0.0 111.873 -179.234 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.473 ' OG1' ' CE1' ' A' ' 80' ' ' PHE . 95.1 m -63.37 -45.57 90.54 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.846 0.355 . . . . 0.0 110.714 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.83 -43.55 90.68 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.998 -0.547 . . . . 0.0 112.195 -179.174 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.436 ' O ' ' N ' ' A' ' 90' ' ' GLU . 1.7 m-80 -56.87 -39.5 74.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.768 -179.383 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.515 ' CD1' ' CD2' ' A' ' 96' ' ' PHE . 0.6 OUTLIER -60.24 -41.29 92.86 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.731 0.301 . . . . 0.0 111.409 -179.61 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 4.9 mt -71.96 -46.96 57.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.915 0.388 . . . . 0.0 111.18 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -88.44 -72.6 0.53 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.48 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 86' ' ' ASN . 1.4 tp10 -63.88 -159.77 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.332 179.237 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 7.6 mm100 63.44 -88.73 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.059 179.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 142.98 170.74 13.06 Favored Glycine 0 C--N 1.334 0.457 0 C-N-CA 120.396 -0.907 . . . . 0.0 113.184 179.692 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.57 -56.1 25.57 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 121.113 0.482 . . . . 0.0 111.254 -179.826 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -57.92 -15.34 8.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.533 -0.758 . . . . 0.0 112.442 -178.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -77.22 -44.65 29.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.86 0.362 . . . . 0.0 110.62 179.636 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.515 ' CD2' ' CD1' ' A' ' 87' ' ' LEU . 1.9 t80 -68.67 -43.67 75.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.896 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -67.83 -37.0 81.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.158 -179.669 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 71.5 ttt180 -63.98 -64.33 0.92 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.814 -179.338 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 5.5 p -69.42 -39.41 78.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 N-CA-C 112.756 0.65 . . . . 0.0 112.756 -178.004 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.405 ' HB2' ' O ' ' A' ' 96' ' ' PHE . 0.2 OUTLIER -87.69 -25.9 23.25 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 120.093 -0.643 . . . . 0.0 111.915 -177.623 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.437 ' N ' ' HD2' ' A' ' 102' ' ' PRO . . . -42.59 -60.63 2.78 Favored Glycine 0 CA--C 1.521 0.456 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.715 179.603 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . 0.437 ' HD2' ' N ' ' A' ' 101' ' ' GLY . 30.0 Cg_endo -62.26 -15.5 44.98 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.693 2.262 . . . . 0.0 112.167 179.476 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 89.5 t -82.62 -50.88 15.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.786 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 94.2 t -70.12 -34.61 59.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.959 0.409 . . . . 0.0 110.456 179.214 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 5.5 tttt -54.87 -60.3 3.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.296 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -42.05 -34.39 1.43 Allowed Glycine 0 C--N 1.333 0.401 0 C-N-CA 121.017 -0.611 . . . . 0.0 112.821 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.408 HG22 ' CZ2' ' A' ' 127' ' ' TRP . 26.3 mt -73.61 -40.88 55.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.653 0.263 . . . . 0.0 111.311 -179.751 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 73.7 t -61.59 -33.95 59.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.703 179.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -68.26 -31.98 75.35 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.69 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -80.43 -27.92 37.87 Favored 'General case' 0 C--N 1.332 -0.184 0 O-C-N 122.833 -0.216 . . . . 0.0 111.08 -179.753 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 62.0 m -90.99 -28.63 17.88 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 113.334 0.864 . . . . 0.0 113.334 -177.219 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . 0.419 ' O ' ' HB2' ' A' ' 113' ' ' LYS . 57.5 m-20 -64.26 -73.65 0.12 Allowed 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.011 -0.676 . . . . 0.0 110.201 -179.336 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.419 ' HB2' ' O ' ' A' ' 112' ' ' ASP . 0.0 OUTLIER 83.66 -7.08 1.12 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.435 -178.527 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 11.0 p30 -107.19 -18.92 13.76 Favored 'General case' 0 CA--C 1.529 0.165 0 N-CA-C 110.132 -0.321 . . . . 0.0 110.132 178.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . 77.1 54.14 0.04 OUTLIER 'General case' 0 N--CA 1.462 0.133 0 N-CA-C 112.457 0.54 . . . . 0.0 112.457 178.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 47.6 p-10 -115.62 -16.96 11.25 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 121.003 -0.279 . . . . 0.0 111.239 179.562 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 77.29 13.46 83.57 Favored Glycine 0 CA--C 1.519 0.343 0 C-N-CA 120.864 -0.684 . . . . 0.0 113.021 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -125.2 165.76 17.69 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.03 0.443 . . . . 0.0 111.747 -179.182 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 18.2 mm -112.85 99.95 9.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.778 -179.237 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . 0.413 ' O ' ' N ' ' A' ' 123' ' ' GLU . 2.3 m-80 -83.68 158.37 21.85 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 179.332 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -47.61 -38.13 13.96 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.979 -0.288 . . . . 0.0 111.22 -178.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.33 -28.96 66.69 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 179.205 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 120' ' ' ASN . 12.0 mt-10 -80.99 -44.93 17.39 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 178.678 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . 0.484 ' CE2' HD13 ' A' ' 128' ' ' LEU . 5.6 t80 -55.58 -51.31 67.54 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.978 179.702 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -57.1 -42.26 80.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.079 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -55.61 -33.87 64.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.138 -0.483 . . . . 0.0 112.041 -179.544 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' TRP . . . . . 0.408 ' CZ2' HG22 ' A' ' 107' ' ' ILE . 10.5 t90 -85.84 -41.39 15.05 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 111.922 0.342 . . . . 0.0 111.922 -178.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.484 HD13 ' CE2' ' A' ' 124' ' ' PHE . 0.2 OUTLIER -59.5 -44.54 93.08 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.864 0.364 . . . . 0.0 110.825 -179.585 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 1.7 p -70.05 -25.48 63.57 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.031 -0.532 . . . . 0.0 109.885 178.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.92 -37.44 87.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.37 179.132 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 95.7 mt -86.28 -7.26 58.64 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 -178.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 112.78 27.12 3.9 Favored Glycine 0 CA--C 1.518 0.28 0 C-N-CA 119.954 -1.117 . . . . 0.0 113.88 178.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' MET . . . . . . . . . . . . . 2.2 mmt -102.4 153.13 20.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 117.27 0.535 . . . . 0.0 110.079 179.041 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -80.78 166.03 21.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.888 0.375 . . . . 0.0 111.134 -179.552 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.07 -19.36 64.08 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.042 -0.527 . . . . 0.0 112.082 -179.022 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -84.95 -25.54 27.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.785 0.326 . . . . 0.0 111.46 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -73.42 -42.4 62.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.683 -179.352 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -58.31 -58.81 6.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.956 0.408 . . . . 0.0 110.589 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -47.33 -43.33 22.71 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.058 179.415 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.54 -48.45 55.42 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.65 -179.553 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -61.75 -36.4 80.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.038 0.447 . . . . 0.0 111.15 -179.307 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -52.41 -59.83 3.96 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.205 179.188 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -58.67 -35.03 71.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.465 -0.789 . . . . 0.0 112.452 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -67.16 -38.25 85.15 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 -178.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . 0.458 HG11 ' N ' ' A' ' 146' ' ' ASP . 11.9 p -83.1 -34.54 11.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.71 -178.262 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . 0.458 ' N ' HG11 ' A' ' 145' ' ' VAL . 0.5 OUTLIER -60.84 78.12 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.176 -179.452 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 147' ' ' THR . . . . . 0.443 ' N ' ' O ' ' A' ' 145' ' ' VAL . 5.9 m -58.19 -28.95 65.27 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.817 179.192 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 39.8 p30 -98.41 1.67 47.09 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.548 0.573 . . . . 0.0 112.548 -178.208 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 38.32 39.01 0.68 Allowed Glycine 0 C--N 1.337 0.621 0 C-N-CA 121.237 -0.506 . . . . 0.0 113.558 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 40.4 p-10 -94.15 -5.66 46.62 Favored 'General case' 0 CA--C 1.531 0.226 0 N-CA-C 111.62 0.23 . . . . 0.0 111.62 -179.694 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 90.06 1.96 75.27 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.489 -0.862 . . . . 0.0 113.517 179.224 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 65.1 mt-10 -133.04 134.26 44.14 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 117.499 0.649 . . . . 0.0 110.804 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . 0.441 ' CD2' HG11 ' A' ' 145' ' ' VAL . 12.3 mt -99.88 104.49 16.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.931 179.572 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -89.3 158.83 17.67 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.919 0.39 . . . . 0.0 111.142 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -40.95 -41.24 1.58 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.919 -179.615 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 60.6 t0 -57.01 -56.91 15.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.218 0.532 . . . . 0.0 111.387 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -64.28 -14.91 58.77 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.33 -0.85 . . . . 0.0 112.908 -178.391 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 21.4 mt -70.64 -38.73 73.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.674 0.273 . . . . 0.0 110.82 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.331 -0.235 0 CA-C-O 120.958 0.409 . . . . 0.0 110.349 179.474 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 3.0 mp . . . . . 0 N--CA 1.464 0.262 0 CA-C-O 120.849 0.357 . . . . 0.0 111.781 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.58 -33.6 76.04 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -179.013 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.9 t -60.34 -55.0 38.95 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.755 0.312 . . . . 0.0 111.352 -179.433 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -51.46 -44.5 62.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.285 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.29 -48.96 77.59 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.536 -179.449 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.438 HD23 ' CG2' ' A' ' 84' ' ' THR . 51.5 mt -76.55 -32.8 58.42 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.644 0.259 . . . . 0.0 111.442 -179.191 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.62 -53.33 59.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.78 0.324 . . . . 0.0 110.532 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.7 mttp -60.69 -44.09 96.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.381 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -48.24 -29.79 4.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.171 179.654 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -73.96 -61.4 1.86 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.662 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -67.49 -11.75 58.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.182 179.561 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.59 -23.74 59.97 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.744 0.307 . . . . 0.0 110.879 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 2.4 m0 -91.94 -96.25 0.13 Allowed 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.308 -179.637 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 39.55 68.39 0.38 Allowed 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 120.924 0.392 . . . . 0.0 111.514 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.489 ' CE1' ' HB3' ' A' ' 31' ' ' LYS . 0.4 OUTLIER -53.11 -50.99 63.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.645 -179.617 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.5 p30 -96.84 -13.54 22.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.585 -179.628 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.45 45.7 13.6 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.541 -0.838 . . . . 0.0 112.879 179.751 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 16.8 p-10 -93.03 -7.83 44.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 117.234 0.517 . . . . 0.0 111.326 179.64 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 85.28 21.48 54.57 Favored Glycine 0 C--N 1.334 0.434 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.43 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -156.46 173.84 16.31 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.592 0.234 . . . . 0.0 110.406 179.444 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.9 mp -108.31 123.27 48.54 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.671 -0.241 . . . . 0.0 110.949 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -121.01 172.07 8.2 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.353 0.597 . . . . 0.0 111.493 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -68.46 -34.59 76.21 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.793 179.632 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.0 -20.1 66.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.038 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.415 ' O ' ' CE2' ' A' ' 18' ' ' PHE . 0.5 OUTLIER -72.4 -33.21 67.01 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.443 179.802 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -75.24 -39.07 60.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.457 -179.457 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.81 -39.9 95.34 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.636 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.489 ' HB3' ' CE1' ' A' ' 18' ' ' PHE . 0.3 OUTLIER -64.93 -42.71 94.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.673 0.273 . . . . 0.0 110.418 179.629 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -48.7 -61.48 2.01 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.296 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -43.98 -46.53 8.31 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.088 179.553 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -62.55 -51.1 68.7 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.905 179.167 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -52.73 -31.31 37.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.281 179.775 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 65.3 mt -77.72 -55.6 9.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.654 179.252 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -45.11 -44.23 10.32 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 121.084 0.469 . . . . 0.0 110.999 179.701 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -59.82 -42.39 93.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.252 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -58.37 -24.76 60.82 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.894 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 47.5 m-85 -92.16 3.38 55.44 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.466 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 67.86 14.1 64.95 Favored Glycine 0 C--N 1.335 0.479 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.712 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 17.5 mttp -90.96 158.69 16.58 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.389 0.138 . . . . 0.0 110.793 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.46 130.27 40.87 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.699 0.285 . . . . 0.0 110.708 179.69 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.58 -17.0 64.04 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.697 -179.458 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -105.02 13.63 49.1 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.296 -0.954 . . . . 0.0 113.049 -179.274 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.19 -159.79 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.926 0.393 . . . . 0.0 110.795 179.282 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -91.74 -50.23 5.85 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.24 0.543 . . . . 0.0 110.913 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.76 -30.31 67.44 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.33 -0.85 . . . . 0.0 112.525 -178.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 5.2 t -76.02 -43.44 38.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.219 179.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -61.66 -40.92 96.64 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 178.67 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 85.1 m -57.29 -57.87 10.75 Favored 'General case' 0 CA--C 1.522 -0.108 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.213 179.134 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 22.2 tp -51.19 -55.74 16.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.509 -179.507 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.1 mtpt -51.39 -37.77 49.95 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.741 0.305 . . . . 0.0 110.873 179.528 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 17.3 t30 -60.84 -42.81 98.5 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.873 0.368 . . . . 0.0 110.64 179.707 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.65 -37.89 73.78 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.157 179.633 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -62.36 -31.05 71.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.55 179.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -64.07 -52.16 46.96 Favored Glycine 0 N--CA 1.449 -0.455 0 CA-C-N 115.714 -0.675 . . . . 0.0 112.905 -179.624 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -61.37 -27.1 67.18 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.548 -0.834 . . . . 0.0 112.662 -179.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.3 tt -55.64 -38.1 69.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.807 0.336 . . . . 0.0 110.914 -179.426 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -62.2 -39.86 94.16 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.849 179.67 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -41.81 -52.94 3.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.516 -179.669 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -58.38 -35.27 71.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.138 -179.659 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 83.3 mt -66.68 -57.97 6.07 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.867 0.365 . . . . 0.0 111.19 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.408 ' HB3' ' O ' ' A' ' 70' ' ' GLY . . . -51.81 -50.72 60.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 0.0 112.137 179.629 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.97 -49.42 74.78 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.848 0.356 . . . . 0.0 111.47 -179.103 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -60.24 -42.59 95.6 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.83 -179.654 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -76.19 -27.94 57.09 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 116.123 -0.49 . . . . 0.0 112.146 -179.379 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 105.56 0.36 40.07 Favored Glycine 0 CA--C 1.522 0.52 0 C-N-CA 120.615 -0.802 . . . . 0.0 113.785 178.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 35.3 m -102.07 175.56 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 179.482 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.408 ' O ' ' HB3' ' A' ' 64' ' ' ALA . . . -89.17 -179.2 45.6 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.413 -0.899 . . . . 0.0 113.944 -178.546 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 12.3 m -65.38 -13.43 58.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.329 -0.436 . . . . 0.0 111.142 178.158 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -111.22 12.44 21.77 Favored 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 122.187 0.195 . . . . 0.0 111.407 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -94.56 -163.75 35.55 Favored Glycine 0 N--CA 1.446 -0.663 0 C-N-CA 120.274 -0.965 . . . . 0.0 112.194 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -144.17 156.73 44.44 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.279 0.562 . . . . 0.0 112.007 -179.273 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -116.75 132.15 56.77 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.314 179.58 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 29.5 p -83.9 -179.16 7.2 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.628 0.251 . . . . 0.0 110.872 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 60.8 tt0 -71.44 -52.28 19.35 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.701 0.286 . . . . 0.0 111.197 -179.555 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -55.62 -35.07 65.47 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 179.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -75.15 -42.63 55.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.141 178.694 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 36.7 t80 -53.92 -53.92 45.95 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.792 179.417 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 23.5 mt -53.82 -46.64 63.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.536 -179.302 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.7 -53.25 60.17 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 111.873 0.323 . . . . 0.0 111.873 -179.519 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.425 HG11 ' N ' ' A' ' 84' ' ' THR . 14.6 p -72.41 -34.6 49.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.761 0.315 . . . . 0.0 111.33 -179.805 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.438 ' CG2' HD23 ' A' ' 9' ' ' LEU . 31.1 m -64.13 -48.4 76.22 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.364 179.834 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -52.8 -45.35 67.17 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.075 0.464 . . . . 0.0 111.077 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -58.44 -37.86 76.29 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.913 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.7 mt -58.92 -48.35 81.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.296 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 2.9 mp -73.32 -45.09 53.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 120.601 0.239 . . . . 0.0 111.07 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -87.87 -75.47 0.41 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.819 0.342 . . . . 0.0 110.989 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.402 ' O ' ' HB2' ' A' ' 91' ' ' GLN . 4.9 mt-10 -64.13 -161.5 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.648 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.428 ' N ' ' OE1' ' A' ' 91' ' ' GLN . 0.0 OUTLIER 66.91 135.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.809 179.836 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -69.69 157.76 53.45 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.561 -179.693 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.04 -57.78 9.22 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.709 0.29 . . . . 0.0 111.719 -179.256 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.437 ' O ' ' CG ' ' A' ' 98' ' ' ARG . . . -60.43 -13.38 13.19 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.336 0.495 . . . . 0.0 112.336 -179.523 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 37.4 m -73.62 -42.61 61.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.873 0.368 . . . . 0.0 110.82 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -67.93 -44.87 75.86 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.309 179.681 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -65.09 -39.91 93.84 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.67 -0.696 . . . . 0.0 112.141 -179.35 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.437 ' CG ' ' O ' ' A' ' 94' ' ' ALA . 1.5 mmt-85 -62.57 -63.4 1.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -178.241 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 21.6 t -66.92 -38.31 81.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 113.02 0.748 . . . . 0.0 113.02 -177.472 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -88.75 -25.72 22.14 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 119.896 -0.721 . . . . 0.0 112.722 -177.536 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.455 ' N ' ' HD2' ' A' ' 102' ' ' PRO . . . -41.1 -56.71 3.19 Favored Glycine 0 CA--C 1.524 0.647 0 C-N-CA 120.896 -0.668 . . . . 0.0 112.949 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . 0.455 ' HD2' ' N ' ' A' ' 101' ' ' GLY . 57.2 Cg_endo -69.03 -13.74 37.09 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.908 2.406 . . . . 0.0 112.741 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 46.6 t -79.75 -49.95 18.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 C-N-CA 120.436 -0.506 . . . . 0.0 110.454 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 59.3 t -70.53 -34.46 57.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 121.457 0.646 . . . . 0.0 109.67 178.353 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.04 -59.35 4.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.016 -0.993 . . . . 0.0 110.501 179.185 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -44.92 -35.49 4.51 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.906 -0.664 . . . . 0.0 112.35 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 69.0 mt -73.69 -41.67 54.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.606 0.241 . . . . 0.0 111.458 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 46.4 t -62.17 -34.2 62.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.911 0.386 . . . . 0.0 110.945 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -62.64 -36.33 93.11 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.466 -0.873 . . . . 0.0 112.064 179.612 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 1.6 mtm -80.8 -27.6 36.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.871 0.367 . . . . 0.0 110.12 179.507 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 6.5 t -93.98 46.2 1.17 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.062 -178.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -167.38 107.92 0.6 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.254 -0.884 . . . . 0.0 110.371 -179.749 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 1.5 mtpt -94.06 7.77 43.94 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.685 178.08 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -108.66 -24.19 11.46 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.72 0.295 . . . . 0.0 110.785 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . 67.97 59.68 0.44 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.302 -0.408 . . . . 0.0 112.037 179.24 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 27.2 p-10 -114.18 -12.71 12.46 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.777 179.13 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 82.91 4.56 89.97 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.618 -0.801 . . . . 0.0 113.232 179.506 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -121.42 166.0 14.74 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-O 121.273 0.559 . . . . 0.0 111.987 -179.35 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.456 ' CG1' HD12 ' A' ' 158' ' ' LEU . 38.8 mm -111.77 98.99 7.76 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.972 -179.413 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . 0.424 ' O ' ' N ' ' A' ' 123' ' ' GLU . 1.4 m120 -86.01 153.78 21.9 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.738 -0.385 . . . . 0.0 110.053 179.668 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -42.99 -38.9 2.41 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 111.804 0.298 . . . . 0.0 111.804 -178.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 53.2 t0 -69.13 -37.59 78.39 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 179.379 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 120' ' ' ASN . 3.8 mt-10 -73.45 -45.36 54.73 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 178.606 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -54.98 -52.78 62.0 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.354 -179.487 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -54.5 -40.37 68.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.448 -179.48 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -55.57 -33.35 63.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 112.094 -179.332 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 13.3 t90 -86.43 -42.07 13.92 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 111.804 0.298 . . . . 0.0 111.804 -178.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.55 -44.11 84.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.907 0.384 . . . . 0.0 110.691 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -71.19 -21.62 62.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.38 178.753 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -65.14 -36.54 84.59 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.715 179.39 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 5.7 mt -86.1 3.12 44.0 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 -178.739 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 102.54 29.68 5.85 Favored Glycine 0 C--N 1.332 0.338 0 C-N-CA 120.216 -0.992 . . . . 0.0 113.743 178.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' MET . . . . . . . . . . . . . 15.1 mmt -103.07 155.98 18.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.956 0.378 . . . . 0.0 110.29 179.419 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 16.6 t -81.79 168.42 18.03 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.956 0.407 . . . . 0.0 111.475 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.95 -14.74 62.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.014 -0.539 . . . . 0.0 112.165 -179.55 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -89.11 -31.23 18.1 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 111.99 0.366 . . . . 0.0 111.99 -179.361 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.03 -38.66 79.3 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 -178.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -60.23 -59.04 6.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.799 0.333 . . . . 0.0 111.025 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -46.92 -41.73 16.47 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.946 0.403 . . . . 0.0 111.414 179.444 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -69.23 -48.21 62.57 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.004 -179.701 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -64.65 -37.19 86.72 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.975 -0.557 . . . . 0.0 112.04 -179.338 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -55.86 -59.91 4.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.058 0.456 . . . . 0.0 110.631 179.579 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -56.06 -35.05 66.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.961 -179.424 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -66.69 -33.46 75.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.756 -179.194 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . 0.469 ' O ' ' N ' ' A' ' 147' ' ' THR . 48.9 t -83.49 -32.46 9.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 112.314 0.487 . . . . 0.0 112.314 -178.191 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.81 77.73 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.026 0.441 . . . . 0.0 111.149 -179.451 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 147' ' ' THR . . . . . 0.469 ' N ' ' O ' ' A' ' 145' ' ' VAL . 1.3 p -56.84 -35.44 68.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.941 179.764 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 37.9 p30 -95.65 6.4 49.03 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 -178.527 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 39.4 31.44 0.21 Allowed Glycine 0 C--N 1.333 0.416 0 C-N-CA 121.199 -0.524 . . . . 0.0 113.689 179.585 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 25.8 p-10 -87.21 -4.51 59.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.882 0.341 . . . . 0.0 111.518 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 87.53 3.89 80.71 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.434 -0.889 . . . . 0.0 113.162 179.311 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -134.11 134.16 41.92 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 117.242 0.521 . . . . 0.0 110.557 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 36.3 mt -100.56 104.66 16.02 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.45 179.127 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 2.9 p -88.17 168.0 13.13 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 121.199 0.523 . . . . 0.0 112.305 -179.078 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 4.3 mp -48.55 -45.63 37.8 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.798 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -56.16 -58.54 7.51 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.267 -179.803 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -64.08 -17.26 63.23 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.575 -0.739 . . . . 0.0 112.21 -178.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 158' ' ' LEU . . . . . 0.456 HD12 ' CG1' ' A' ' 119' ' ' ILE . 0.6 OUTLIER -71.83 -70.12 0.35 Allowed 'General case' 0 C--N 1.334 -0.104 0 CA-C-O 120.936 0.398 . . . . 0.0 110.735 179.218 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.472 0.645 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.155 -179.47 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 32.5 mm . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.898 0.38 . . . . 0.0 111.051 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.21 -44.68 94.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.898 -179.439 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.36 -46.53 89.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.734 0.302 . . . . 0.0 111.293 -179.791 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -56.13 -54.81 40.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.289 -0.414 . . . . 0.0 112.114 -179.007 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.58 -42.76 99.32 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.003 0.371 . . . . 0.0 112.003 -178.395 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.439 ' CD2' HG23 ' A' ' 84' ' ' THR . 5.2 mt -78.8 -30.78 45.65 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.207 0.447 . . . . 0.0 112.207 -178.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -61.18 -63.59 1.24 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.762 0.315 . . . . 0.0 111.365 -179.42 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.401 ' O ' ' N ' ' A' ' 15' ' ' ARG . 3.1 mmmt -49.22 -46.21 45.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.375 -179.335 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.84 -30.87 1.84 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.869 0.366 . . . . 0.0 110.974 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 44.8 t80 -74.61 -58.53 3.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.136 -179.743 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.75 -13.92 62.53 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.003 179.589 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.401 ' N ' ' O ' ' A' ' 11' ' ' LYS . 48.9 ttt85 -73.1 -24.15 60.6 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 111.79 0.293 . . . . 0.0 111.79 -179.448 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 32.8 m0 -98.21 -92.38 0.25 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.153 -179.302 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 39.56 73.72 0.11 Allowed 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 120.945 0.402 . . . . 0.0 111.544 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.449 ' CE2' ' N ' ' A' ' 32' ' ' GLU . 0.2 OUTLIER -53.19 -50.62 64.29 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.288 -179.314 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 46.1 p30 -98.16 -11.61 22.6 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.187 0.44 . . . . 0.0 112.187 -178.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 72.83 41.72 48.46 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.382 -0.913 . . . . 0.0 111.91 -179.615 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 16.6 p30 -90.5 -7.71 52.28 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 111.874 0.324 . . . . 0.0 111.874 -179.301 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 83.73 21.19 58.36 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.368 -0.92 . . . . 0.0 112.333 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -157.2 176.43 12.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.913 0.387 . . . . 0.0 110.967 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.4 mt -114.63 117.13 30.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.55 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -113.74 170.74 8.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.365 0.602 . . . . 0.0 110.821 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.5 ttm180 -68.18 -34.77 76.91 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.527 179.632 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.61 -19.82 66.06 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.259 179.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.38 -29.31 64.79 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 179.661 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -76.93 -36.67 56.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.012 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -64.19 -45.47 88.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.508 179.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 20.6 mmmt -62.35 -41.71 98.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.832 0.349 . . . . 0.0 110.58 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.449 ' N ' ' CE2' ' A' ' 18' ' ' PHE . 2.5 tt0 -50.51 -62.81 1.37 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.273 179.833 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -45.54 -47.04 14.36 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.117 0.484 . . . . 0.0 110.964 179.305 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 49.4 tt0 -63.26 -53.75 47.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.159 179.521 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 15.1 t60 -53.48 -23.44 10.2 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.892 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 60.4 mt -86.37 -49.71 14.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.203 179.386 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -48.13 -42.33 29.01 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.52 178.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -60.46 -42.14 95.58 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.471 179.461 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.13 -25.79 67.24 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.54 179.308 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -90.89 0.37 57.51 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.855 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 69.67 13.32 68.52 Favored Glycine 0 CA--C 1.52 0.36 0 C-N-CA 120.461 -0.876 . . . . 0.0 112.964 179.709 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 13.4 mmtp -90.3 159.61 16.57 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.955 0.407 . . . . 0.0 111.596 -179.594 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.97 130.3 38.23 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.253 179.735 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.0 -14.42 62.95 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.523 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -105.38 14.71 47.11 Favored Glycine 0 C--N 1.332 0.335 0 C-N-CA 120.554 -0.831 . . . . 0.0 113.705 -179.014 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.73 -168.22 0.25 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.816 0.341 . . . . 0.0 111.019 179.35 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -90.27 -47.01 8.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.651 179.243 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -62.35 -25.08 67.71 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.384 -179.592 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.447 HG12 ' N ' ' A' ' 50' ' ' GLN . 9.3 p -76.33 -46.61 32.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 179.442 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.447 ' N ' HG12 ' A' ' 49' ' ' VAL . 9.9 tp-100 -60.12 -40.78 90.93 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 178.744 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 65.9 m -59.75 -56.0 27.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.239 178.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 8.7 tp -52.29 -58.84 5.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.205 -179.494 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 53.7 mtpt -51.07 -41.99 60.27 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.443 0.163 . . . . 0.0 110.676 179.455 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -56.94 -40.4 76.32 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.902 0.382 . . . . 0.0 110.051 179.407 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.02 -36.46 77.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.514 179.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -64.61 -30.26 71.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.867 -179.647 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -65.99 -48.98 61.24 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.316 179.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -63.67 -31.03 79.4 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.519 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.415 HD12 HG23 ' A' ' 103' ' ' VAL . 2.7 tp -58.48 -39.41 79.89 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 111.524 0.194 . . . . 0.0 111.524 -178.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 20.3 t80 -65.29 -37.54 87.47 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.405 0.145 . . . . 0.0 110.767 179.427 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 50.6 t0 -41.88 -45.62 3.75 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 120.857 0.36 . . . . 0.0 111.348 -179.632 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -59.54 -37.45 78.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.087 179.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.405 ' O ' ' HB1' ' A' ' 67' ' ' ALA . 49.9 mt -64.14 -57.93 8.12 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.034 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.423 ' HA ' HG21 ' A' ' 69' ' ' VAL . . . -52.04 -48.86 64.38 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.306 0.484 . . . . 0.0 112.306 -179.837 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.8 ttmt -63.93 -51.19 65.61 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.925 0.393 . . . . 0.0 111.082 -179.618 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 28.5 tp10 -61.4 -42.45 98.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.235 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.405 ' HB1' ' O ' ' A' ' 63' ' ' LEU . . . -77.18 -24.84 51.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.364 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 103.29 -4.3 47.99 Favored Glycine 0 CA--C 1.522 0.469 0 C-N-CA 120.631 -0.795 . . . . 0.0 113.91 178.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.423 HG21 ' HA ' ' A' ' 64' ' ' ALA . 33.6 m -97.21 173.33 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.946 0.373 . . . . 0.0 110.713 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.409 ' O ' ' HB3' ' A' ' 64' ' ' ALA . . . -86.17 177.36 49.1 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.93 -0.653 . . . . 0.0 114.132 -178.575 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.0 -13.21 44.75 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.042 -0.579 . . . . 0.0 110.836 177.862 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -112.41 13.2 20.2 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 116.747 -0.206 . . . . 0.0 111.531 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -94.12 -165.72 36.74 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.548 -0.834 . . . . 0.0 112.672 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.0 m -143.59 155.68 44.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.127 0.489 . . . . 0.0 111.726 -179.265 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.4 mp -119.66 136.94 54.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.696 178.664 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 5.7 p -83.16 -178.18 7.01 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.923 0.392 . . . . 0.0 111.011 -179.745 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -68.07 -48.64 65.01 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.891 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 53.2 mm-40 -58.74 -33.34 70.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.828 179.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -72.55 -42.91 64.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.125 0.488 . . . . 0.0 110.15 179.126 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 76.9 t80 -52.39 -58.28 7.2 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.082 179.596 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 79.2 mt -50.3 -46.65 25.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.531 -179.269 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.7 -52.91 63.48 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.405 -179.833 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 21.5 t -70.35 -35.62 63.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 120.731 0.3 . . . . 0.0 110.927 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.439 HG23 ' CD2' ' A' ' 9' ' ' LEU . 63.3 m -64.31 -48.1 76.89 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.961 0.41 . . . . 0.0 110.391 179.364 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -51.29 -47.52 62.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.013 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 26.2 m120 -61.56 -38.93 89.28 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.824 179.477 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 5.7 mt -58.65 -42.48 88.47 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.601 179.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 17.7 mm -74.91 -50.32 25.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.644 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -85.61 -75.71 0.36 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.018 -179.413 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.03 -163.98 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.697 0.284 . . . . 0.0 110.785 179.714 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 71.39 139.62 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.406 -179.581 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -70.39 156.71 53.42 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.983 -179.347 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -54.83 -53.54 54.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.435 0.636 . . . . 0.0 109.595 179.386 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.71 -10.24 25.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 114.921 -1.036 . . . . 0.0 112.161 179.493 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -73.62 -42.67 61.16 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.802 0.334 . . . . 0.0 110.633 -179.498 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -70.72 -41.06 72.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.066 0.46 . . . . 0.0 110.206 179.253 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.401 ' OD1' HD23 ' A' ' 159' ' ' LEU . 8.5 m-80 -66.17 -39.01 89.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.645 -179.495 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 10.5 mtt180 -65.14 -51.54 60.56 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 -178.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 2.9 t -81.88 -36.27 14.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 112.338 0.496 . . . . 0.0 112.338 -178.316 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 18.7 tp -90.41 -26.1 20.05 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 119.695 -0.802 . . . . 0.0 111.743 -178.481 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.433 ' N ' ' HD2' ' A' ' 102' ' ' PRO . . . -41.93 -54.55 4.34 Favored Glycine 0 CA--C 1.52 0.378 0 C-N-CA 120.985 -0.626 . . . . 0.0 113.118 179.791 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . 0.433 ' HD2' ' N ' ' A' ' 101' ' ' GLY . 57.3 Cg_endo -71.32 -13.31 30.64 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.593 2.195 . . . . 0.0 112.351 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.415 HG23 HD12 ' A' ' 59' ' ' LEU . 31.5 t -81.2 -51.52 15.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.859 0.361 . . . . 0.0 110.711 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 36.2 t -68.91 -33.88 61.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.08 0.467 . . . . 0.0 110.348 179.203 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.99 -51.96 67.48 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.624 179.34 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -47.66 -36.27 12.52 Favored Glycine 0 C--N 1.332 0.329 0 C-N-CA 120.918 -0.658 . . . . 0.0 112.514 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.404 HG22 ' CZ2' ' A' ' 127' ' ' TRP . 52.4 mt -72.21 -40.88 66.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.8 0.333 . . . . 0.0 110.724 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 85.2 t -63.74 -34.54 68.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.077 179.683 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -59.87 -40.54 96.92 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.253 -0.975 . . . . 0.0 111.728 179.692 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -78.71 -24.82 44.73 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 179.463 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 49.2 t -92.31 44.83 1.18 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.132 0.491 . . . . 0.0 111.21 -179.158 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -165.91 108.77 0.78 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.481 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 12.7 mtpp -93.93 1.39 56.33 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.104 178.31 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 45.4 p-10 -104.16 -19.05 14.27 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-O 120.792 0.329 . . . . 0.0 110.601 179.43 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . 69.11 51.12 0.54 Allowed 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 116.207 -0.451 . . . . 0.0 112.03 179.216 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 35.7 p-10 -107.48 -14.07 14.93 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.666 -0.243 . . . . 0.0 111.201 179.422 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 80.23 9.53 86.48 Favored Glycine 0 CA--C 1.52 0.402 0 C-N-CA 120.84 -0.695 . . . . 0.0 113.229 179.479 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 2.8 mm100 -123.48 162.9 21.95 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 117.16 0.48 . . . . 0.0 111.492 -179.421 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 37.7 mm -107.98 99.06 7.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.214 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . 0.442 ' O ' ' N ' ' A' ' 123' ' ' GLU . 7.5 m-20 -86.07 153.22 22.27 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 179.188 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -45.25 -38.27 5.37 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 111.773 0.286 . . . . 0.0 111.773 -178.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -70.49 -30.14 66.85 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 179.413 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 120' ' ' ASN . 8.6 mt-10 -79.95 -46.77 16.11 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 178.571 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . 0.471 ' CG ' HD13 ' A' ' 128' ' ' LEU . 5.8 t80 -56.31 -43.07 78.59 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.93 0.395 . . . . 0.0 110.809 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -58.21 -45.79 87.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.24 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -53.62 -34.24 57.81 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.956 -179.568 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' TRP . . . . . 0.404 ' CZ2' HG22 ' A' ' 107' ' ' ILE . 18.7 t90 -85.16 -37.75 19.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.858 0.361 . . . . 0.0 111.36 -179.035 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.471 HD13 ' CG ' ' A' ' 124' ' ' PHE . 0.8 OUTLIER -62.6 -47.94 81.6 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.916 -179.777 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 76.5 p -70.21 -21.55 63.01 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.18 -0.463 . . . . 0.0 109.916 178.589 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -65.74 -37.85 87.51 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.241 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 16.2 mt -87.04 -0.66 56.99 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 111.914 0.338 . . . . 0.0 111.914 -179.115 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 106.65 30.27 4.38 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.18 -1.01 . . . . 0.0 113.621 178.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' MET . . . . . . . . . . . . . 16.8 mmt -101.98 153.08 20.2 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 179.065 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -81.53 153.8 26.59 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.9 0.381 . . . . 0.0 111.047 -179.409 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 7.6 mttt -56.52 -20.1 18.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.543 -179.643 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -83.91 -21.69 31.81 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.945 0.402 . . . . 0.0 111.16 179.475 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -75.12 -39.43 60.57 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.239 -179.565 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -61.86 -60.72 3.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.983 0.421 . . . . 0.0 110.25 179.577 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -46.66 -45.32 19.17 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.719 179.262 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -69.81 -47.78 61.56 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.932 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -61.78 -41.63 97.97 Favored 'General case' 0 CA--C 1.519 -0.241 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.639 -179.25 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 142' ' ' PHE . . . . . 0.489 ' CD1' HD13 ' A' ' 153' ' ' LEU . 86.1 t80 -51.01 -57.55 8.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.846 179.71 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 29.3 m120 -58.6 -35.94 73.23 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.626 0.602 . . . . 0.0 112.626 -179.668 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -64.45 -41.49 96.52 Favored 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -178.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . 0.456 ' O ' ' N ' ' A' ' 147' ' ' THR . 12.5 t -81.9 -29.21 9.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.214 -0.448 . . . . 0.0 112.014 -177.638 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -61.37 78.12 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.31 0 CA-C-O 121.203 0.525 . . . . 0.0 111.156 -179.625 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 147' ' ' THR . . . . . 0.456 ' N ' ' O ' ' A' ' 145' ' ' VAL . 1.7 t -54.84 -41.81 71.18 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.464 -0.789 . . . . 0.0 112.722 -179.755 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 42.4 p30 -94.3 6.69 47.92 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.489 0.552 . . . . 0.0 112.489 -178.004 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 37.65 39.8 0.62 Allowed Glycine 0 C--N 1.337 0.615 0 C-N-CA 121.19 -0.529 . . . . 0.0 113.398 179.698 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 40.5 p-10 -93.0 -7.07 46.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.605 0.24 . . . . 0.0 111.487 -179.545 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 95.26 -3.59 66.57 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.619 -0.8 . . . . 0.0 113.207 179.58 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -132.71 135.33 45.72 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-N 117.524 0.662 . . . . 0.0 111.46 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . 0.489 HD13 ' CD1' ' A' ' 142' ' ' PHE . 13.3 mt -102.94 100.85 10.83 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.555 179.211 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 19.5 t -88.82 165.79 14.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.065 0.459 . . . . 0.0 111.765 -179.315 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -45.43 -41.74 9.63 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.393 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.23 -60.71 3.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.264 0.554 . . . . 0.0 110.994 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -62.94 -16.52 59.59 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.337 -0.847 . . . . 0.0 112.102 -179.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 1.7 mt -70.49 -67.21 0.51 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.096 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . 0.401 HD23 ' OD1' ' A' ' 97' ' ' ASN . 2.1 pp . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.139 -179.514 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 4.1 mp . . . . . 0 N--CA 1.456 -0.129 0 CA-C-O 120.991 0.425 . . . . 0.0 111.292 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.95 -34.6 77.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.783 -179.522 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.04 -51.41 69.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.929 0.395 . . . . 0.0 110.879 -179.743 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -53.33 -47.74 69.06 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.258 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.59 -47.95 83.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.567 -179.093 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.2 mt -75.87 -28.99 58.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.546 -178.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.48 -58.85 6.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.817 0.341 . . . . 0.0 110.697 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.418 ' O ' ' N ' ' A' ' 15' ' ' ARG . 7.4 mtpt -55.81 -43.3 76.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.973 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -46.05 -33.85 3.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.192 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 17.5 t80 -73.29 -60.04 2.43 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.019 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.74 -12.78 61.9 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.721 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.418 ' N ' ' O ' ' A' ' 11' ' ' LYS . 4.9 mmm-85 -72.31 -22.31 61.21 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.618 0.247 . . . . 0.0 111.285 -179.245 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 8.0 m0 -101.33 -91.72 0.32 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.592 -0.276 . . . . 0.0 111.042 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 41.15 73.92 0.12 Allowed 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.069 0.461 . . . . 0.0 111.331 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -54.39 -51.68 64.07 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.541 -179.141 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.432 ' OD1' ' N ' ' A' ' 19' ' ' ASP . 9.5 p-10 -96.66 -13.46 22.79 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -179.023 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 75.9 44.35 19.69 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.426 -0.892 . . . . 0.0 112.135 -179.666 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.1 p-10 -93.21 -12.3 30.57 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.631 0.234 . . . . 0.0 111.631 -179.663 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 83.55 21.62 57.81 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.527 -0.844 . . . . 0.0 112.146 -179.59 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -153.77 175.96 12.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.706 0.288 . . . . 0.0 110.338 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -115.43 121.47 42.84 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.831 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -120.64 171.85 8.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.555 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -66.37 -32.34 73.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.384 -179.724 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.69 -20.84 65.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.242 179.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.27 -35.95 71.54 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 179.506 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 47.2 m-85 -77.17 -38.31 51.98 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.88 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -65.48 -42.55 92.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.147 179.504 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.8 tptt -66.04 -42.54 89.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.936 0.398 . . . . 0.0 110.134 179.542 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -50.82 -59.43 4.12 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.286 179.624 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -46.28 -45.74 17.46 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.172 0.51 . . . . 0.0 110.338 179.444 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -62.21 -52.71 62.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.967 179.124 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 9.0 t60 -56.07 -33.3 64.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.497 179.534 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 13.4 mm -71.8 -55.19 14.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.241 179.219 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.424 ' CB ' HG12 ' A' ' 49' ' ' VAL . . . -43.0 -42.09 3.65 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.416 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.6 -37.27 85.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.677 179.5 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -58.66 -34.74 71.56 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 179.3 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -90.23 3.39 53.67 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.745 179.158 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 70.62 -153.5 51.6 Favored Glycine 0 C--N 1.336 0.53 0 C-N-CA 120.981 -0.628 . . . . 0.0 112.629 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 6.2 mtmt 73.4 -157.44 0.08 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.664 0.268 . . . . 0.0 111.415 179.619 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.42 -157.45 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.265 0 CA-C-O 120.83 0.348 . . . . 0.0 111.862 -178.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -140.33 -58.85 0.54 Allowed 'General case' 0 C--O 1.231 0.124 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 178.295 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -90.3 28.52 7.38 Favored Glycine 0 N--CA 1.452 -0.246 0 CA-C-N 114.766 -1.106 . . . . 0.0 111.9 179.183 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.45 -168.33 0.32 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.826 0.346 . . . . 0.0 111.277 179.508 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -83.12 -51.42 7.53 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.053 179.415 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -55.96 -33.34 64.69 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.652 -179.248 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.424 HG12 ' CB ' ' A' ' 37' ' ' ALA . 1.5 t -77.05 -42.79 32.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 179.764 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -61.04 -40.94 95.54 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 178.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 97.2 m -57.99 -56.57 20.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.21 179.55 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 37.3 tp -50.4 -57.05 8.87 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.846 -0.341 . . . . 0.0 110.212 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.7 mtpt -50.1 -36.92 31.5 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.018 0.437 . . . . 0.0 110.173 179.011 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -61.04 -45.81 93.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.564 179.363 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.63 -55.77 10.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.857 179.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -47.44 -29.97 3.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.822 179.781 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -68.05 -52.31 28.81 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 121.009 -0.615 . . . . 0.0 113.127 -179.453 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -54.96 -30.71 54.48 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.831 -179.354 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 7.9 tt -58.12 -33.39 69.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.759 0.279 . . . . 0.0 111.3 -179.44 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -61.89 -44.35 96.97 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.873 0.368 . . . . 0.0 110.37 179.592 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -42.35 -49.81 5.11 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.154 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -58.79 -41.22 86.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.122 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 29.3 mt -64.34 -53.74 43.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.902 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -55.71 -50.58 69.95 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 111.855 0.317 . . . . 0.0 111.855 179.444 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.52 -50.22 72.25 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.91 0.386 . . . . 0.0 111.013 -179.51 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -61.47 -39.88 92.49 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.762 179.643 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -78.27 -26.15 47.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.625 -179.613 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 104.05 0.85 45.02 Favored Glycine 0 CA--C 1.52 0.365 0 C-N-CA 120.69 -0.766 . . . . 0.0 113.968 178.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 31.3 m -102.3 174.22 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 117.158 0.479 . . . . 0.0 110.388 179.552 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -87.7 -179.84 47.63 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.873 -0.68 . . . . 0.0 114.049 -178.686 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.6 m -64.35 -13.04 48.17 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.338 -0.431 . . . . 0.0 111.061 178.231 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 80.8 m-20 -114.03 13.76 18.24 Favored 'General case' 0 C--N 1.333 -0.141 0 N-CA-C 111.703 0.26 . . . . 0.0 111.703 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -94.21 -165.62 36.59 Favored Glycine 0 C--N 1.331 0.264 0 C-N-CA 120.456 -0.878 . . . . 0.0 112.691 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -143.11 155.41 44.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.102 0.477 . . . . 0.0 111.588 -179.515 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -117.53 139.56 50.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.07 179.116 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 69.9 p -83.98 -177.4 6.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.755 0.312 . . . . 0.0 111.159 -179.668 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -71.72 -49.57 38.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.625 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -59.44 -32.35 70.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.562 179.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -72.68 -43.2 63.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.141 0.496 . . . . 0.0 110.098 179.169 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.511 ' CE1' ' CG2' ' A' ' 84' ' ' THR . 23.6 t80 -51.48 -56.7 11.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.811 179.463 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 52.2 mt -54.14 -50.3 55.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.922 -179.464 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.2 ttm180 -56.29 -51.71 67.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.44 -179.387 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 38.5 t -71.99 -39.58 66.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 111.773 0.286 . . . . 0.0 111.773 -179.434 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.511 ' CG2' ' CE1' ' A' ' 80' ' ' PHE . 40.0 p -60.69 -44.35 96.65 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.05 0.452 . . . . 0.0 110.178 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -50.02 -54.44 20.14 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.299 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.414 ' O ' ' N ' ' A' ' 90' ' ' GLU . 11.1 m-20 -57.71 -36.88 72.6 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.294 -179.747 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.6 mt -57.28 -43.03 82.76 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.519 -179.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 3.8 mt -72.8 -53.25 19.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.831 0.348 . . . . 0.0 111.139 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 -88.2 -68.74 0.74 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.176 -179.529 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 86' ' ' ASN . 0.8 OUTLIER -57.08 -164.8 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.878 0.37 . . . . 0.0 111.11 -179.91 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 61.0 -83.96 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.037 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . 0.41 ' N ' ' OG ' ' A' ' 95' ' ' SER . . . 135.16 175.71 13.99 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.993 179.775 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.88 -59.95 4.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.099 0.476 . . . . 0.0 111.243 -179.864 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -57.62 -18.09 18.15 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.708 -0.678 . . . . 0.0 112.139 -179.055 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' SER . . . . . 0.41 ' OG ' ' N ' ' A' ' 92' ' ' GLY . 0.0 OUTLIER -78.41 -45.31 22.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.074 0.464 . . . . 0.0 110.674 179.928 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.475 ' CE2' HD21 ' A' ' 100' ' ' LEU . 21.2 t80 -70.46 -40.6 73.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.542 179.716 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -68.34 -35.06 77.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.65 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 5.5 mtm180 -62.75 -56.65 15.65 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -179.199 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 45.4 t -78.81 -36.23 18.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 112.948 0.721 . . . . 0.0 112.948 -177.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.475 HD21 ' CE2' ' A' ' 96' ' ' PHE . 1.6 tp -89.52 -26.06 21.08 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 119.848 -0.741 . . . . 0.0 112.233 -177.879 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -44.73 -59.17 4.43 Favored Glycine 0 CA--C 1.521 0.462 0 C-N-CA 120.642 -0.79 . . . . 0.0 112.682 179.74 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -63.46 -19.04 67.13 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.85 2.367 . . . . 0.0 112.067 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 73.1 t -79.62 -48.18 21.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.184 179.698 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 2.8 t -69.88 -33.93 57.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.948 0.404 . . . . 0.0 110.205 179.27 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.9 -57.17 12.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.476 179.362 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -44.53 -38.48 5.37 Favored Glycine 0 C--N 1.333 0.378 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.116 179.627 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 22.7 mm -74.28 -38.74 48.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.724 0.297 . . . . 0.0 111.237 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 75.8 t -61.81 -35.44 67.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.096 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -71.73 -26.06 73.69 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.473 -0.87 . . . . 0.0 112.514 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 7.9 mtp -80.59 -30.72 36.87 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.363 0.125 . . . . 0.0 110.92 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 47.5 m -86.88 -37.42 17.7 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.772 0.656 . . . . 0.0 112.772 -177.451 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . 0.428 ' HA ' ' HG2' ' A' ' 123' ' ' GLU . 3.6 m-20 -63.45 -71.7 0.16 Allowed 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.286 -0.566 . . . . 0.0 110.052 -179.406 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.421 ' HB2' ' O ' ' A' ' 112' ' ' ASP . 0.3 OUTLIER 81.38 2.21 1.56 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.116 -178.438 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 14.2 p30 -107.94 -21.17 12.93 Favored 'General case' 0 C--O 1.231 0.111 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 178.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . 75.44 45.77 0.13 Allowed 'General case' 0 C--O 1.231 0.124 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.975 179.389 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 16.5 p30 -106.39 -16.37 14.57 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.012 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 81.32 8.07 87.6 Favored Glycine 0 CA--C 1.52 0.353 0 C-N-CA 120.699 -0.762 . . . . 0.0 113.409 179.431 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -123.2 163.85 19.84 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 117.261 0.531 . . . . 0.0 111.813 -179.483 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 42.1 mm -111.7 99.73 9.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.411 -179.041 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . 0.422 ' O ' ' N ' ' A' ' 123' ' ' GLU . 1.1 m-80 -85.69 157.8 20.22 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 110.143 -0.317 . . . . 0.0 110.143 179.439 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . 0.482 ' HA ' ' CD2' ' A' ' 142' ' ' PHE . . . -47.74 -38.72 16.03 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 111.64 0.237 . . . . 0.0 111.64 -178.689 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -70.26 -28.22 65.06 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 179.073 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . 0.428 ' HG2' ' HA ' ' A' ' 112' ' ' ASP . 57.1 mt-10 -82.92 -47.52 11.7 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.818 178.777 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . 0.451 ' CE2' HD13 ' A' ' 128' ' ' LEU . 2.8 t80 -55.81 -51.58 66.96 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.839 0.352 . . . . 0.0 110.856 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . 0.405 ' HA ' ' CB ' ' A' ' 138' ' ' ALA . . . -53.75 -42.48 68.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.747 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -53.84 -33.84 57.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.195 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 23.3 t90 -82.7 -49.52 9.69 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 111.696 0.258 . . . . 0.0 111.696 -179.087 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.451 HD13 ' CE2' ' A' ' 124' ' ' PHE . 0.2 OUTLIER -54.12 -45.9 72.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.883 0.373 . . . . 0.0 110.488 -179.529 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 25.2 p -70.85 -21.02 62.48 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.031 178.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -65.3 -37.49 87.31 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.046 179.491 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 3.2 mt -86.97 -2.08 58.35 Favored 'General case' 0 CA--C 1.529 0.16 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 -178.724 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 109.9 29.63 3.75 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.259 -0.972 . . . . 0.0 113.251 179.317 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' MET . . . . . . . . . . . . . 38.5 mmm -101.93 153.06 20.21 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 179.219 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 56.6 m -83.23 159.79 21.9 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.718 0.295 . . . . 0.0 110.751 179.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 2.2 ttpm? -62.17 -16.77 55.2 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.809 -179.442 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -82.77 -27.51 30.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.048 179.661 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -73.97 -41.91 61.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.344 -179.773 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . 0.405 ' CB ' ' HA ' ' A' ' 125' ' ' ALA . . . -59.26 -57.85 11.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.859 0.361 . . . . 0.0 110.836 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -49.55 -44.04 46.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.096 179.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -70.81 -48.28 54.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.733 -179.451 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -62.3 -34.28 76.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.064 0.459 . . . . 0.0 111.367 -179.207 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 142' ' ' PHE . . . . . 0.482 ' CD2' ' HA ' ' A' ' 121' ' ' ALA . 31.9 t80 -56.95 -59.05 5.63 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.867 179.555 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 12.1 t30 -56.45 -36.27 68.85 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 115.76 -0.654 . . . . 0.0 112.504 -179.055 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -68.49 -27.42 66.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.93 0.395 . . . . 0.0 111.097 -179.395 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . 0.431 ' O ' ' N ' ' A' ' 147' ' ' THR . 44.5 t -84.66 -36.58 11.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.033 -0.53 . . . . 0.0 112.428 -178.699 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.51 78.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.125 0.488 . . . . 0.0 111.667 -179.084 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 147' ' ' THR . . . . . 0.431 ' N ' ' O ' ' A' ' 145' ' ' VAL . 24.0 m -56.34 -35.8 68.04 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 115.6 -0.727 . . . . 0.0 112.497 179.723 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 54.6 p30 -96.45 7.59 46.13 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -178.319 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 42.27 35.27 1.77 Allowed Glycine 0 C--N 1.332 0.358 0 C-N-CA 120.968 -0.634 . . . . 0.0 113.273 179.596 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 31.1 p-10 -91.78 -6.57 51.58 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-O 120.535 0.207 . . . . 0.0 111.414 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 88.2 5.59 76.11 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.497 -0.858 . . . . 0.0 113.374 179.17 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -133.05 134.73 44.75 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 117.269 0.534 . . . . 0.0 110.891 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . 0.427 ' HG ' ' CE2' ' A' ' 142' ' ' PHE . 47.6 mt -97.37 99.54 10.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.113 179.394 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.1 163.36 17.03 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.082 0.468 . . . . 0.0 111.723 -178.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -47.98 -44.3 30.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.496 -179.678 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 33.5 t0 -56.38 -59.63 4.69 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.895 0.378 . . . . 0.0 111.039 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 77.4 mt-10 -65.02 -15.42 62.3 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.975 -0.557 . . . . 0.0 112.343 -179.028 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 5.0 mt -70.63 -56.03 7.42 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.078 0.465 . . . . 0.0 110.557 179.526 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.958 -179.707 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 23.0 mt . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.791 0.329 . . . . 0.0 111.712 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.63 -35.34 75.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.541 -179.219 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.408 ' O ' ' N ' ' A' ' 10' ' ' LYS . 3.0 m -60.46 -49.37 77.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.082 0.467 . . . . 0.0 110.867 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.04 -50.79 68.2 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.798 -179.46 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -61.7 -50.09 73.83 Favored 'General case' 0 N--CA 1.463 0.216 0 N-CA-C 111.806 0.299 . . . . 0.0 111.806 -179.038 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.8 mt -73.14 -29.17 62.69 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.34 -179.013 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' A' ' 6' ' ' SER . 0.1 OUTLIER -59.96 -47.74 84.54 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.925 -179.48 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 35.3 mttt -65.3 -46.15 81.53 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.02 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -47.42 -28.2 2.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.925 179.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.49 ' CD1' ' HA ' ' A' ' 77' ' ' GLU . 80.5 t80 -74.88 -62.86 1.4 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.239 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -70.06 -23.76 63.13 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 120.689 0.281 . . . . 0.0 111.19 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 45.5 ttt85 -72.23 -13.93 61.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.55 -179.464 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.429 ' HA ' ' CE3' ' A' ' 16' ' ' TRP . 2.2 m95 -113.34 20.49 16.1 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 111.992 0.368 . . . . 0.0 111.992 -179.564 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.8 81.86 6.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.181 0.515 . . . . 0.0 110.557 179.774 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.469 ' CZ ' ' HB3' ' A' ' 31' ' ' LYS . 0.2 OUTLIER -54.51 -51.89 63.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.033 -179.547 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -97.94 -14.05 20.84 Favored 'General case' 0 CA--C 1.53 0.199 0 N-CA-C 111.752 0.278 . . . . 0.0 111.752 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 74.99 46.32 17.06 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.563 -0.827 . . . . 0.0 112.967 179.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.4 p-10 -96.23 -8.03 34.05 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 117.035 0.418 . . . . 0.0 111.521 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 83.12 18.81 64.07 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.343 -0.932 . . . . 0.0 111.908 -179.362 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -152.7 173.84 14.75 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.854 0.359 . . . . 0.0 110.748 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.3 mt -115.82 120.66 40.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.849 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -119.64 172.4 7.7 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.981 0.42 . . . . 0.0 111.096 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.68 -36.79 78.98 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.211 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.56 -21.92 65.94 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.037 179.463 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -72.77 -33.16 66.13 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.121 179.448 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -75.36 -39.97 58.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.816 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 67.6 mt-10 -63.58 -37.72 88.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.191 179.541 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.469 ' HB3' ' CZ ' ' A' ' 18' ' ' PHE . 2.6 mttt -65.31 -44.59 87.39 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.798 0.332 . . . . 0.0 110.897 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.416 ' O ' HG13 ' A' ' 36' ' ' ILE . 9.8 tt0 -46.72 -63.47 1.01 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.621 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -46.71 -45.45 19.53 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.891 0.376 . . . . 0.0 110.993 179.498 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -63.37 -57.54 10.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.863 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 24.2 t60 -52.7 -29.68 28.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.861 0.362 . . . . 0.0 110.396 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.416 HG13 ' O ' ' A' ' 32' ' ' GLU . 19.8 mt -75.56 -50.99 22.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.34 179.717 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -43.21 -48.31 6.52 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.469 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.5 -35.99 75.19 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 179.077 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.402 ' N ' ' O ' ' A' ' 36' ' ' ILE . . . -61.89 -30.37 70.83 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 178.7 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -93.43 -0.11 56.6 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.632 179.232 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 71.99 -151.64 47.62 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 121.21 -0.519 . . . . 0.0 113.212 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 7.7 tptt 68.22 -99.2 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 122.607 0.363 . . . . 0.0 110.876 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -171.56 134.02 0.82 Allowed 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 121.031 0.443 . . . . 0.0 111.497 179.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.89 -8.86 32.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.923 -0.58 . . . . 0.0 112.25 -179.678 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -104.99 15.26 48.16 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.163 -1.018 . . . . 0.0 113.535 -179.107 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.29 166.3 22.73 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.861 0.362 . . . . 0.0 111.113 179.193 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.18 -47.98 75.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.18 0.514 . . . . 0.0 110.617 179.385 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 90.6 mt-10 -56.31 -31.42 63.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.598 -0.728 . . . . 0.0 112.753 -178.66 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.7 t -76.66 -38.88 31.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 C-N-CA 120.604 -0.439 . . . . 0.0 110.984 -179.46 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -59.72 -40.71 88.93 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 179.064 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 82.8 m -55.7 -59.26 5.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.93 179.107 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 17.4 tp -48.94 -58.54 4.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.884 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 27.2 mtpt -50.39 -42.37 53.48 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.483 0.182 . . . . 0.0 111.414 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -58.7 -41.53 86.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.835 0.35 . . . . 0.0 110.236 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.02 -49.05 63.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.876 179.288 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -52.41 -31.06 32.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.658 179.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -65.83 -51.16 48.58 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.361 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -59.85 -30.74 70.18 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.51 -0.853 . . . . 0.0 111.85 179.62 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.407 HD11 ' O ' ' A' ' 59' ' ' LEU . 12.6 tp -55.64 -32.98 63.64 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.93 0.395 . . . . 0.0 110.452 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -63.39 -39.48 94.63 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.223 179.143 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -43.6 -52.82 6.08 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.695 179.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -56.06 -39.88 72.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.258 -179.703 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 10.8 mt -65.96 -56.53 11.2 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.248 -179.381 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -56.32 -45.9 80.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.576 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.32 -55.98 15.23 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.923 0.392 . . . . 0.0 111.331 -179.714 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -61.14 -40.18 92.85 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.503 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -77.52 -25.29 50.15 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.992 0.425 . . . . 0.0 111.097 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 75.26 35.78 47.33 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.987 -0.625 . . . . 0.0 113.564 178.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 48.1 t -106.98 -80.29 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.516 0.198 . . . . 0.0 111.066 -179.716 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 166.51 157.96 10.74 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.578 -0.82 . . . . 0.0 112.548 -179.571 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.1 m -60.86 -23.48 65.17 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 122.434 0.294 . . . . 0.0 111.436 179.372 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -113.06 14.24 19.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.357 179.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -94.53 -165.21 36.05 Favored Glycine 0 C--N 1.332 0.331 0 C-N-CA 120.4 -0.905 . . . . 0.0 112.395 179.652 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 20.5 p -143.3 155.95 44.6 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.024 0.44 . . . . 0.0 111.934 -179.329 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.8 mp -116.62 136.14 53.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.238 179.111 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 16.6 p -85.17 -177.57 6.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.74 0.305 . . . . 0.0 110.793 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.49 ' HA ' ' CD1' ' A' ' 13' ' ' PHE . 2.4 tt0 -71.36 -47.95 53.19 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.758 -179.609 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.0 -33.07 70.29 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.476 179.691 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -73.46 -42.48 61.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.949 0.404 . . . . 0.0 110.273 179.13 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.417 ' CE1' ' OG1' ' A' ' 84' ' ' THR . 48.5 t80 -53.69 -54.77 33.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.568 179.127 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.401 HD13 ' HG2' ' A' ' 77' ' ' GLU . 9.9 mt -53.86 -51.46 44.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.622 -0.717 . . . . 0.0 112.437 -179.095 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.16 -50.09 75.38 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 111.774 0.287 . . . . 0.0 111.774 -179.233 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 74.7 t -73.13 -37.82 53.64 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.214 0 CA-C-O 120.707 0.289 . . . . 0.0 111.569 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.417 ' OG1' ' CE1' ' A' ' 80' ' ' PHE . 51.8 m -61.15 -46.37 90.82 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.905 0.383 . . . . 0.0 110.37 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -50.24 -49.01 54.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.342 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -59.19 -36.85 76.08 Favored 'General case' 0 C--O 1.231 0.109 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.16 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.2 mt -60.44 -48.98 79.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.089 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 2.6 mp -70.8 -44.49 76.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.183 -179.556 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -88.5 -84.73 0.2 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.908 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -57.23 -162.18 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.619 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 72.01 145.45 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.838 0.351 . . . . 0.0 110.146 -179.652 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -82.35 159.6 39.12 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.641 -0.79 . . . . 0.0 113.075 -179.378 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.05 -52.95 61.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.017 0.436 . . . . 0.0 110.328 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.28 -11.47 32.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.771 -0.65 . . . . 0.0 112.507 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.11 -45.72 39.26 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.121 0.486 . . . . 0.0 110.333 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -69.03 -42.32 76.51 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.544 179.508 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -67.07 -37.48 84.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.663 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 7.3 mtp180 -63.91 -51.39 64.69 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.839 -179.31 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 3.7 p -79.6 -40.98 21.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 -177.116 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 13.7 tp -87.68 -25.08 23.67 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.786 -0.643 . . . . 0.0 112.125 -177.482 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -44.89 -62.73 2.84 Favored Glycine 0 CA--C 1.521 0.426 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.998 179.559 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -60.67 -17.66 50.7 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.655 2.237 . . . . 0.0 112.316 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 20.0 t -79.17 -52.08 15.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.672 -179.061 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 59.1 t -66.27 -30.9 51.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.244 0.545 . . . . 0.0 110.745 179.253 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.44 ' HG2' ' CD2' ' A' ' 155' ' ' LEU . 0.0 OUTLIER -55.81 -55.24 34.8 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.668 179.65 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -46.32 -38.89 9.3 Favored Glycine 0 C--N 1.331 0.262 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.492 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.495 HD11 ' CH2' ' A' ' 127' ' ' TRP . 20.2 mt -71.87 -38.98 66.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 121.037 0.446 . . . . 0.0 110.878 -179.858 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 85.3 t -61.69 -37.68 78.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.905 179.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -69.41 -27.93 73.04 Favored Glycine 0 CA--C 1.52 0.375 0 C-N-CA 120.435 -0.888 . . . . 0.0 112.777 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -80.74 -31.77 35.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.546 0.173 . . . . 0.0 111.052 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 63.6 m -90.74 -21.49 21.55 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 113.058 0.762 . . . . 0.0 113.058 -177.617 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . 0.464 ' O ' ' HB2' ' A' ' 113' ' ' LYS . 24.6 m-20 -68.24 -74.03 0.13 Allowed 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 119.943 -0.703 . . . . 0.0 110.686 -178.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.464 ' HB2' ' O ' ' A' ' 112' ' ' ASP . 3.5 mttm 83.53 -4.18 1.18 Allowed 'General case' 0 C--O 1.232 0.135 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.799 -177.625 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -108.88 -15.64 14.33 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 178.069 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . 71.56 49.23 0.3 Allowed 'General case' 0 C--O 1.231 0.085 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.755 179.41 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 14.1 p-10 -110.11 -15.54 14.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.364 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 78.39 11.48 85.27 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.906 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -123.0 164.19 19.01 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-O 121.092 0.472 . . . . 0.0 111.596 -179.243 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.431 ' O ' ' HB2' ' A' ' 153' ' ' LEU . 40.3 mm -111.25 99.54 8.89 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.315 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.582 -178.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -85.05 158.01 20.57 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 122.326 -0.233 . . . . 0.0 110.424 179.672 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . 0.455 ' HA ' ' CE2' ' A' ' 142' ' ' PHE . . . -48.63 -39.19 23.21 Favored 'General case' 0 C--N 1.334 -0.092 0 CA-C-N 116.66 -0.245 . . . . 0.0 111.515 -178.68 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.3 -28.72 64.32 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 179.055 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -79.4 -48.03 14.7 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 178.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . 0.438 ' CD2' ' CD1' ' A' ' 153' ' ' LEU . 2.1 t80 -57.16 -53.4 58.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.925 179.628 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . 0.427 ' HA ' ' HB3' ' A' ' 138' ' ' ALA . . . -50.2 -45.0 53.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.049 -179.684 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -54.77 -32.08 59.55 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.82 -179.573 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' TRP . . . . . 0.495 ' CH2' HD11 ' A' ' 107' ' ' ILE . 13.6 t90 -83.39 -42.26 17.22 Favored 'General case' 0 N--CA 1.463 0.207 0 N-CA-C 111.763 0.282 . . . . 0.0 111.763 -178.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.34 -45.02 92.54 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.96 0.41 . . . . 0.0 110.696 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -71.93 -21.36 61.63 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.146 179.134 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -65.32 -37.98 88.76 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.936 179.472 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -89.32 -0.16 57.26 Favored 'General case' 0 C--N 1.332 -0.156 0 N-CA-C 112.639 0.607 . . . . 0.0 112.639 -178.499 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 109.0 29.56 4.01 Favored Glycine 0 CA--C 1.519 0.291 0 C-N-CA 119.954 -1.117 . . . . 0.0 113.976 179.013 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' MET . . . . . . . . . . . . . 28.0 mmt -103.67 153.11 21.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 117.139 0.469 . . . . 0.0 110.153 178.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 6.8 p -81.02 163.69 23.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.585 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.82 -21.92 65.19 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.855 -0.338 . . . . 0.0 111.096 -179.545 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -79.81 -26.41 40.52 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.003 179.277 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.39 -38.78 68.38 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.693 -179.34 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . 0.427 ' HB3' ' HA ' ' A' ' 125' ' ' ALA . . . -62.38 -59.71 4.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.0 0.429 . . . . 0.0 110.984 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -44.72 -43.64 8.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.338 179.728 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -69.84 -48.32 59.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.403 -179.429 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -63.04 -40.0 96.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.73 -179.238 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 142' ' ' PHE . . . . . 0.455 ' CE2' ' HA ' ' A' ' 121' ' ' ALA . 24.2 t80 -52.32 -59.62 4.19 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.229 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -56.27 -34.57 66.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.877 -179.619 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 2.1 mm100 -66.09 -35.52 80.73 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.895 -179.288 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . 0.475 ' O ' ' N ' ' A' ' 147' ' ' THR . 12.4 t -83.55 -33.45 9.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 112.671 0.619 . . . . 0.0 112.671 -177.692 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.41 78.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.094 0.473 . . . . 0.0 110.914 -179.406 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 147' ' ' THR . . . . . 0.475 ' N ' ' O ' ' A' ' 145' ' ' VAL . 0.2 OUTLIER -56.38 -32.86 65.17 Favored 'General case' 0 CA--C 1.521 -0.172 0 CA-C-N 115.721 -0.672 . . . . 0.0 112.405 -179.82 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 14.8 p30 -98.66 8.57 44.77 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 111.904 0.335 . . . . 0.0 111.904 -178.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 41.45 37.89 1.9 Allowed Glycine 0 C--N 1.335 0.487 0 C-N-CA 121.107 -0.568 . . . . 0.0 113.123 179.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 33.5 p-10 -94.65 -5.89 44.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.583 0.23 . . . . 0.0 111.552 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 85.51 9.08 79.6 Favored Glycine 0 C--N 1.335 0.518 0 C-N-CA 120.674 -0.774 . . . . 0.0 113.778 178.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -134.71 135.68 42.16 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 117.373 0.587 . . . . 0.0 111.153 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . 0.438 ' CD1' ' CD2' ' A' ' 124' ' ' PHE . 31.4 mt -94.88 103.42 15.29 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.06 179.072 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 37.7 p -90.04 160.09 16.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.726 0.298 . . . . 0.0 111.125 -179.592 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 155' ' ' LEU . . . . . 0.44 ' CD2' ' HG2' ' A' ' 105' ' ' LYS . 0.4 OUTLIER -46.6 -44.02 17.84 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-O 121.048 0.451 . . . . 0.0 110.557 -179.922 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.79 -52.29 65.64 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.507 179.651 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -65.77 -26.33 67.66 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.228 -0.896 . . . . 0.0 112.501 -178.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 158' ' ' LEU . . . . . 0.411 HD13 ' CG1' ' A' ' 119' ' ' ILE . 43.2 mt -73.17 -69.99 0.39 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.187 179.626 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 3.9 pp . . . . . 0 N--CA 1.462 0.175 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.843 -178.75 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.423 ' O ' HG21 ' A' ' 4' ' ' ILE . 38.3 mt . . . . . 0 C--O 1.231 0.113 0 CA-C-O 121.157 0.503 . . . . 0.0 110.61 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.23 -47.93 82.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.831 -0.622 . . . . 0.0 112.117 -179.678 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.411 ' O ' ' N ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -60.55 -52.65 64.27 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.916 0.389 . . . . 0.0 111.365 -179.377 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -48.69 -54.64 14.01 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.801 -0.636 . . . . 0.0 112.38 -179.12 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 4.0 mmt-85 -61.39 -45.49 94.14 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.227 0.454 . . . . 0.0 112.227 -178.216 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.488 HD21 ' CE2' ' A' ' 80' ' ' PHE . 18.5 mt -76.5 -28.8 56.57 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 111.97 0.359 . . . . 0.0 111.97 -179.227 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.411 ' N ' ' O ' ' A' ' 6' ' ' SER . 0.2 OUTLIER -59.95 -66.22 0.55 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.444 -179.181 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 8.6 mmtm -47.19 -45.3 22.96 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.835 0.35 . . . . 0.0 111.008 -179.505 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 71.9 mmt-85 -49.5 -29.43 6.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.621 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -73.3 -57.14 4.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.669 0.271 . . . . 0.0 111.474 -179.39 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -70.26 -21.36 62.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.218 -179.571 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 19.6 ttt180 -75.05 -15.28 60.64 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.727 0.298 . . . . 0.0 111.26 179.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.415 ' CE3' ' HA ' ' A' ' 16' ' ' TRP . 5.9 m95 -102.36 14.19 32.6 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.775 -179.515 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -80.68 75.14 7.59 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.043 0.449 . . . . 0.0 111.161 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -53.76 -49.13 68.89 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.469 -179.408 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 27.8 p-10 -97.31 -13.3 22.01 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 111.769 0.285 . . . . 0.0 111.769 -179.355 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.16 43.54 20.85 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.377 -0.916 . . . . 0.0 111.592 -179.162 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 20.1 p-10 -93.19 -11.56 32.42 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 111.618 0.229 . . . . 0.0 111.618 -179.359 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 82.32 21.15 61.02 Favored Glycine 0 C--N 1.331 0.262 0 C-N-CA 120.568 -0.825 . . . . 0.0 112.653 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -155.4 176.58 12.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.692 0.282 . . . . 0.0 110.481 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.9 mt -115.85 123.59 48.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.973 0.416 . . . . 0.0 111.042 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -120.45 172.03 8.12 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.43 179.618 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 9.6 ttt-85 -71.05 -31.36 67.77 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.731 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.52 -20.47 65.65 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.573 -0.739 . . . . 0.0 111.512 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.39 -32.88 72.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.859 0.362 . . . . 0.0 110.543 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.403 ' HB3' ' HB3' ' A' ' 56' ' ' PHE . 99.6 m-85 -76.84 -37.43 55.65 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.422 -179.533 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -64.41 -41.07 96.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.68 -179.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.6 mttm -67.09 -43.7 81.87 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.03 0.443 . . . . 0.0 110.382 179.714 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.409 ' O ' HG12 ' A' ' 36' ' ' ILE . 22.8 tt0 -49.94 -63.11 1.21 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.386 179.662 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -46.05 -47.53 16.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.393 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -62.3 -51.77 66.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.304 -0.407 . . . . 0.0 109.956 179.615 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -56.28 -24.41 42.79 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.206 179.112 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.409 HG12 ' O ' ' A' ' 32' ' ' GLU . 7.0 mm -79.69 -51.7 16.01 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.091 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.808 179.457 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -45.69 -47.47 15.15 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.37 -179.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -60.06 -34.62 73.67 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.927 -0.309 . . . . 0.0 110.319 179.164 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.23 -33.67 72.6 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 178.557 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -92.78 1.18 57.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.901 179.129 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 72.58 -147.64 40.69 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.938 -0.649 . . . . 0.0 112.434 -179.498 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.07 -103.19 0.06 Allowed 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 179.44 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -168.99 131.79 1.3 Allowed 'General case' 0 N--CA 1.457 -0.099 0 C-N-CA 120.48 -0.488 . . . . 0.0 112.146 -178.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.21 -11.54 59.45 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.557 179.644 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -99.32 17.39 57.92 Favored Glycine 0 C--N 1.333 0.397 0 C-N-CA 120.575 -0.821 . . . . 0.0 112.937 -179.466 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.65 -166.05 0.13 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.026 0.441 . . . . 0.0 111.296 179.549 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -94.6 -45.3 7.45 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.142 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -63.89 -21.81 66.63 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.486 -179.62 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 8.7 p -76.23 -48.1 28.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 179.502 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -61.0 -41.07 95.82 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 178.551 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 25.4 m -59.55 -55.06 39.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.448 179.412 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 37.1 tp -52.28 -58.24 7.25 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.836 -0.345 . . . . 0.0 110.27 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 7.5 mtpt -51.35 -39.34 56.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.46 -0.337 . . . . 0.0 110.813 179.531 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -59.04 -41.08 86.99 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 179.595 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.97 -46.23 68.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.452 179.064 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.403 ' HB3' ' HB3' ' A' ' 29' ' ' PHE . 2.6 m-85 -53.69 -33.28 54.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.823 179.564 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -63.0 -50.17 65.83 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.634 -0.793 . . . . 0.0 112.454 -179.692 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.417 ' O ' ' HB2' ' A' ' 61' ' ' ASP . . . -59.09 -29.92 66.18 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.539 -0.838 . . . . 0.0 112.688 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.58 -35.49 68.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 122.497 -0.414 . . . . 0.0 110.756 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 33.2 t80 -63.97 -42.94 97.11 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.729 179.514 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.417 ' HB2' ' O ' ' A' ' 58' ' ' GLY . 16.4 m-20 -42.25 -55.21 3.4 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.741 -179.766 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 18.3 t80 -55.64 -36.09 66.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.812 -179.659 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 18.0 mt -66.44 -55.79 14.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.807 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -55.37 -50.36 69.9 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.839 179.472 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 9.8 ttpt -62.11 -51.51 67.62 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.911 0.386 . . . . 0.0 111.098 -179.412 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 23.5 tp10 -61.7 -41.11 97.16 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.825 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -76.12 -27.08 56.94 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.34 -179.507 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 100.59 11.23 41.75 Favored Glycine 0 CA--C 1.519 0.281 0 C-N-CA 120.888 -0.672 . . . . 0.0 113.498 179.161 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 15.9 m -110.72 172.31 2.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.553 0.176 . . . . 0.0 110.554 179.451 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -84.59 176.18 51.04 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.886 -0.673 . . . . 0.0 113.982 -178.688 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.3 m -63.85 -15.13 58.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.396 -0.402 . . . . 0.0 111.005 178.348 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -109.57 15.15 23.11 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.34 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -95.35 -165.01 34.89 Favored Glycine 0 CA--C 1.52 0.378 0 C-N-CA 120.43 -0.891 . . . . 0.0 113.07 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.5 m -143.81 155.93 44.31 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.897 0.379 . . . . 0.0 111.598 -179.25 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.3 mp -119.34 141.66 48.83 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.64 179.376 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 33.2 p -85.98 -172.11 3.92 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 120.9 0.381 . . . . 0.0 111.609 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -77.89 -49.61 13.88 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.991 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -57.07 -32.19 66.0 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.379 179.603 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -72.06 -42.8 65.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.929 0.395 . . . . 0.0 110.114 179.223 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.488 ' CE2' HD21 ' A' ' 9' ' ' LEU . 32.8 t80 -52.1 -56.47 14.22 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.736 179.252 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 10.9 mt -53.6 -50.49 49.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.763 -179.641 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 2.1 tpt180 -58.27 -55.22 37.84 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 111.645 0.239 . . . . 0.0 111.645 -179.598 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 21.3 t -70.35 -41.58 78.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -178.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.404 ' OG1' ' CD1' ' A' ' 80' ' ' PHE . 29.0 m -61.29 -42.91 99.45 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.321 -179.754 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -53.87 -47.5 70.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.055 0.455 . . . . 0.0 111.268 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 35.1 m-20 -58.72 -40.03 82.54 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.892 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.483 HD21 ' CE2' ' A' ' 96' ' ' PHE . 0.3 OUTLIER -58.81 -39.88 82.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.61 179.736 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 28.7 mm -75.56 -50.82 22.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.364 179.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 99.4 m-85 -88.01 -71.8 0.56 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.974 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.23 -161.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.59 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 23.0 mm100 63.05 158.57 0.07 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.805 0.336 . . . . 0.0 110.882 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -89.36 157.42 26.79 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.702 -0.761 . . . . 0.0 113.185 -179.599 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -54.07 -54.24 42.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.983 0.42 . . . . 0.0 110.639 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.25 -10.57 24.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.842 -0.617 . . . . 0.0 112.365 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.38 -41.27 61.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.798 0.332 . . . . 0.0 110.796 -179.698 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.483 ' CE2' HD21 ' A' ' 87' ' ' LEU . 0.1 OUTLIER -68.1 -43.44 78.47 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.391 179.627 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 27.3 t30 -69.48 -34.4 74.29 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.864 179.657 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 5.5 mtt180 -63.17 -58.0 8.68 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.629 -179.485 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 39.2 t -80.68 -35.48 14.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 112.767 0.655 . . . . 0.0 112.767 -178.228 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.457 ' HA ' ' CG2' ' A' ' 103' ' ' VAL . 0.5 OUTLIER -88.34 -26.39 22.25 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 119.613 -0.835 . . . . 0.0 111.806 -178.087 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -41.0 -57.02 3.05 Favored Glycine 0 CA--C 1.522 0.471 0 C-N-CA 121.152 -0.547 . . . . 0.0 113.195 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_exo -66.35 -11.1 30.04 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.716 2.277 . . . . 0.0 112.265 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.457 ' CG2' ' HA ' ' A' ' 100' ' ' LEU . 20.8 t -79.87 -53.62 12.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.424 -179.405 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 98.5 t -68.77 -30.34 46.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.9 0.381 . . . . 0.0 111.105 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -55.25 -53.64 53.47 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.391 179.529 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -48.85 -41.61 28.27 Favored Glycine 0 CA--C 1.519 0.331 0 C-N-CA 120.85 -0.69 . . . . 0.0 112.541 179.53 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 64.0 mt -71.66 -39.85 69.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.757 0.313 . . . . 0.0 111.046 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.424 ' CG1' HD12 ' A' ' 119' ' ' ILE . 36.6 t -63.14 -37.21 78.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.734 179.476 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -66.67 -31.91 79.86 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.37 179.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 75.6 mtp -79.78 -29.71 40.45 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.589 0.233 . . . . 0.0 110.649 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -86.56 -37.6 18.0 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.974 0.731 . . . . 0.0 112.974 -177.179 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . 0.405 ' O ' ' CB ' ' A' ' 113' ' ' LYS . 65.6 m-20 -64.14 -72.16 0.15 Allowed 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.1 -0.64 . . . . 0.0 110.131 -179.348 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.405 ' CB ' ' O ' ' A' ' 112' ' ' ASP . 0.1 OUTLIER 81.85 -4.14 1.54 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.201 -178.638 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . 0.404 ' O ' ' CB ' ' A' ' 115' ' ' ALA . 1.9 p30 -106.34 -23.64 12.48 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 178.552 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . 0.404 ' CB ' ' O ' ' A' ' 114' ' ' ASN . . . 82.2 55.08 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.128 0 N-CA-C 112.785 0.661 . . . . 0.0 112.785 178.819 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 37.7 p-10 -113.98 -18.2 11.79 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 121.151 -0.219 . . . . 0.0 110.862 179.279 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 79.33 11.91 84.44 Favored Glycine 0 CA--C 1.52 0.344 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.77 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 5.4 mm-40 -125.73 160.99 28.33 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.866 0.365 . . . . 0.0 111.643 -179.498 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.424 HD12 ' CG1' ' A' ' 108' ' ' VAL . 37.0 mm -109.44 103.24 15.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.875 -179.35 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -84.34 161.86 20.25 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 179.065 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -50.62 -37.52 40.74 Favored 'General case' 0 N--CA 1.464 0.241 0 C-N-CA 120.912 -0.315 . . . . 0.0 111.63 -178.507 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.88 -28.78 65.93 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 178.649 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . 0.402 ' HG2' ' HA ' ' A' ' 112' ' ' ASP . 5.3 mt-10 -79.88 -48.98 12.6 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.159 178.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -55.27 -52.16 64.31 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.233 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -54.78 -41.3 70.35 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.107 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -55.54 -34.17 64.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.751 -179.67 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 14.3 t90 -84.2 -46.58 11.73 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 -178.212 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.429 ' O ' ' CG ' ' A' ' 133' ' ' MET . 22.5 mt -58.49 -40.42 82.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.946 0.403 . . . . 0.0 110.554 -179.508 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 68.3 p -72.65 -28.49 62.76 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.36 179.388 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.57 -34.34 74.02 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.999 -179.698 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 51.5 mt -85.94 7.17 25.33 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 111.85 0.315 . . . . 0.0 111.85 -179.453 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 99.19 28.01 7.89 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.378 -0.915 . . . . 0.0 113.959 178.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' MET . . . . . 0.429 ' CG ' ' O ' ' A' ' 128' ' ' LEU . 17.3 mmt -98.57 156.81 16.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 117.292 0.546 . . . . 0.0 110.152 179.026 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 29.4 t -81.2 163.28 23.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.892 0.377 . . . . 0.0 111.203 -179.491 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.07 -27.94 69.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.908 -179.231 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -79.86 -22.99 42.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.523 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.1 -41.73 66.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.754 -179.103 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . 0.417 ' HA ' ' CD1' ' A' ' 128' ' ' LEU . . . -64.42 -51.84 61.17 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.529 -179.448 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -50.09 -44.46 51.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.727 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -71.67 -41.96 68.08 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.872 0.368 . . . . 0.0 111.141 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -64.94 -39.79 94.03 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.704 -179.531 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -51.93 -59.33 4.45 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.27 179.193 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 68.3 m-20 -56.46 -35.39 67.86 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.912 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -63.86 -36.93 85.53 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 -179.179 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . 0.468 ' O ' ' N ' ' A' ' 147' ' ' THR . 15.6 t -83.91 -32.8 8.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 112.751 0.649 . . . . 0.0 112.751 -178.302 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.09 77.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.152 0.501 . . . . 0.0 111.634 -178.611 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 147' ' ' THR . . . . . 0.468 ' N ' ' O ' ' A' ' 145' ' ' VAL . 1.3 m -58.03 -33.71 69.28 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.556 -0.747 . . . . 0.0 112.495 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 53.6 p30 -97.54 5.95 48.81 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 -178.692 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 41.1 34.31 0.86 Allowed Glycine 0 C--N 1.335 0.478 0 C-N-CA 121.026 -0.607 . . . . 0.0 113.312 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 6.4 p-10 -90.1 -6.95 54.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.605 0.241 . . . . 0.0 111.571 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 88.82 4.07 76.09 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.53 -0.843 . . . . 0.0 113.35 179.449 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -135.95 137.28 41.14 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-N 117.601 0.7 . . . . 0.0 111.211 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . 0.411 HD23 ' CG1' ' A' ' 145' ' ' VAL . 12.1 mt -101.24 102.46 13.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.96 179.573 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -89.27 166.81 13.54 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-O 121.015 0.436 . . . . 0.0 111.761 -179.721 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 5.0 tt -47.31 -45.63 24.47 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.733 -179.645 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -57.86 -52.15 66.67 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.395 0.617 . . . . 0.0 110.687 179.51 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -64.4 -21.52 66.67 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.95 -1.023 . . . . 0.0 112.893 -178.286 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.91 -30.26 65.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.976 0.417 . . . . 0.0 110.312 179.261 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . 0.406 ' CD2' ' N ' ' A' ' 159' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--N 1.331 -0.223 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.063 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 37.1 mm . . . . . 0 N--CA 1.456 -0.135 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.69 -36.95 77.51 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.854 -179.309 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.8 m -61.72 -49.33 76.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.855 0.359 . . . . 0.0 110.882 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.19 -51.31 66.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.609 -179.371 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.31 -41.4 98.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.385 -178.756 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 18.2 mt -76.84 -34.44 57.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.585 0.231 . . . . 0.0 111.515 -179.18 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.1 tmtt? -61.43 -56.74 16.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.52 179.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.448 ' O ' ' N ' ' A' ' 15' ' ' ARG . 6.1 mmtp -56.91 -46.75 81.76 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.564 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -47.91 -36.8 12.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.683 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -73.72 -55.38 6.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.922 0.391 . . . . 0.0 110.817 -179.729 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -68.89 -18.74 64.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.214 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -69.55 -18.08 63.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.79 -0.187 . . . . 0.0 111.162 -179.315 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 6.0 m0 -102.38 -94.63 0.3 Allowed 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 121.196 -0.202 . . . . 0.0 111.09 179.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 41.68 73.0 0.14 Allowed 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 121.102 0.477 . . . . 0.0 110.951 -179.445 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -53.49 -48.11 69.23 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.603 -178.55 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -97.76 -13.79 21.19 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -178.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 78.75 42.38 13.39 Favored Glycine 0 CA--C 1.52 0.369 0 C-N-CA 120.468 -0.872 . . . . 0.0 113.388 179.522 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 44.0 p-10 -93.89 -13.73 26.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 117.096 0.448 . . . . 0.0 111.703 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 87.86 21.31 47.19 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.42 -0.895 . . . . 0.0 112.218 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -155.44 169.96 23.03 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.721 0.296 . . . . 0.0 110.798 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -111.11 121.58 45.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.76 179.553 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -120.66 174.36 6.62 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.108 0.48 . . . . 0.0 110.454 179.66 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.41 ' NH2' ' OG ' ' A' ' 71' ' ' SER . 6.8 ttm180 -67.82 -37.97 82.62 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.198 -179.722 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.0 -20.21 62.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.172 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -68.68 -31.76 71.09 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.191 179.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -77.08 -37.96 53.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.993 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -63.78 -41.5 97.95 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 20.8 mmtt -67.13 -45.45 77.07 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.757 178.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.403 ' O ' HG12 ' A' ' 36' ' ' ILE . 2.1 tt0 -52.11 -52.88 48.67 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.236 179.68 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -51.28 -51.54 53.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.137 0.494 . . . . 0.0 110.609 179.503 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 8.3 tp60 -60.65 -49.86 75.82 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.657 -0.702 . . . . 0.0 110.851 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -51.52 -23.97 4.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.768 -179.549 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.403 HG12 ' O ' ' A' ' 32' ' ' GLU . 8.6 mm -85.01 -52.79 11.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.432 179.688 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -44.65 -43.92 8.64 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 120.84 0.352 . . . . 0.0 111.605 -179.299 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.77 -40.02 90.97 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.179 179.683 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -58.96 -29.81 67.44 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.092 -179.738 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -87.67 3.2 48.75 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.78 179.535 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 46.58 76.3 0.14 Allowed Glycine 0 C--N 1.339 0.716 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.468 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.01 -151.69 0.4 Allowed 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 110.321 -0.251 . . . . 0.0 110.321 -179.514 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.417 ' CB ' ' HB1' ' A' ' 46' ' ' ALA . 3.3 p30 -66.43 -172.98 0.18 Allowed 'General case' 0 CA--C 1.528 0.12 0 CA-C-O 120.785 0.326 . . . . 0.0 111.402 -178.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.456 ' O ' ' CG1' ' A' ' 49' ' ' VAL . . . -138.67 -60.56 0.59 Allowed 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 178.346 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -95.17 24.87 26.84 Favored Glycine 0 CA--C 1.521 0.422 0 CA-C-N 115.168 -0.924 . . . . 0.0 112.411 179.639 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.417 ' HB1' ' CB ' ' A' ' 43' ' ' ASP . . . -71.52 -167.25 0.24 Allowed 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 117.147 0.474 . . . . 0.0 111.82 179.552 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -85.23 -52.56 5.82 Favored 'General case' 0 C--O 1.23 0.076 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.887 179.483 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.436 ' HB3' ' HG2' ' A' ' 110' ' ' MET . 32.6 mm-40 -52.89 -36.27 59.04 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.143 -178.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.456 ' CG1' ' O ' ' A' ' 44' ' ' ALA . 7.6 p -77.36 -40.69 29.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.279 -0.418 . . . . 0.0 109.901 179.399 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.8 tt0 -59.79 -42.49 93.51 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 178.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 3.2 m -57.9 -56.03 27.27 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.41 178.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 13.7 tp -50.85 -60.82 2.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.957 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.1 -37.83 35.73 Favored 'General case' 0 N--CA 1.462 0.159 0 C-N-CA 121.058 -0.257 . . . . 0.0 110.569 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -59.83 -41.98 92.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.784 0.326 . . . . 0.0 110.268 179.232 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.51 -45.64 78.9 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.759 179.497 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -57.74 -31.55 66.57 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.977 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -63.61 -50.63 60.36 Favored Glycine 0 C--N 1.331 0.299 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.559 179.544 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -61.79 -29.41 72.14 Favored Glycine 0 C--N 1.333 0.363 0 C-N-CA 120.564 -0.827 . . . . 0.0 111.993 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 41.0 tp -56.0 -42.62 76.67 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.601 0.239 . . . . 0.0 111.036 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 32.8 t80 -61.19 -38.79 87.82 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.614 -0.266 . . . . 0.0 111.042 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -44.67 -45.63 9.82 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 121.034 0.445 . . . . 0.0 111.025 179.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -59.14 -39.35 82.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.944 179.74 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 93.8 mt -66.52 -56.95 8.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.81 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -53.74 -47.2 70.86 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.308 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.4 ttmt -65.22 -54.2 33.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.44 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -60.86 -41.54 96.1 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 120.822 0.344 . . . . 0.0 110.878 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -77.8 -22.9 49.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.738 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 71.52 51.48 16.34 Favored Glycine 0 CA--C 1.519 0.307 0 C-N-CA 121.057 -0.592 . . . . 0.0 114.082 178.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.4 HG23 ' N ' ' A' ' 70' ' ' GLY . 0.4 OUTLIER -123.69 -79.79 0.25 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 CA-C-N 116.777 0.288 . . . . 0.0 111.038 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.4 ' N ' HG23 ' A' ' 69' ' ' VAL . . . 168.01 157.77 11.43 Favored Glycine 0 CA--C 1.52 0.354 0 C-N-CA 121.071 -0.585 . . . . 0.0 112.104 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.41 ' OG ' ' NH2' ' A' ' 26' ' ' ARG . 37.2 t -63.36 -19.11 64.36 Favored 'General case' 0 C--N 1.33 -0.257 0 O-C-N 122.664 -0.315 . . . . 0.0 111.585 179.29 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 23.6 p30 -114.41 12.51 17.5 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.694 -179.08 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -94.18 -164.18 36.15 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.388 -0.91 . . . . 0.0 112.914 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 85.0 p -142.05 154.7 45.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.82 0.343 . . . . 0.0 111.428 -179.096 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -116.47 144.49 44.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.672 179.446 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 12.4 p -87.05 177.22 7.28 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.009 0.433 . . . . 0.0 111.433 -179.525 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -65.94 -50.48 64.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.138 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -58.93 -26.42 64.36 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.882 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 23.8 mm-40 -71.26 -46.02 61.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.779 0.323 . . . . 0.0 111.122 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.407 ' O ' ' CB ' ' A' ' 84' ' ' THR . 68.4 t80 -52.79 -49.42 65.64 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.063 0.459 . . . . 0.0 110.923 179.713 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 50.8 mt -55.58 -56.17 13.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.532 -179.714 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -55.58 -52.79 62.56 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.74 -179.276 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 15.6 t -71.75 -36.37 58.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 -178.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.407 ' CB ' ' O ' ' A' ' 80' ' ' PHE . 26.0 m -63.43 -43.91 96.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.06 0.457 . . . . 0.0 110.024 179.607 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -50.43 -53.05 32.38 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.471 179.717 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -59.55 -38.7 81.79 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.36 -179.589 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.7 mt -58.06 -48.56 79.74 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.814 0.34 . . . . 0.0 111.008 179.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 6.3 mt -74.51 -37.07 43.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.228 -179.693 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -88.75 -81.63 0.26 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.862 0.363 . . . . 0.0 110.409 179.37 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.409 ' O ' ' HB2' ' A' ' 91' ' ' GLN . 0.4 OUTLIER -62.01 -162.35 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.831 179.819 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.409 ' HB2' ' O ' ' A' ' 90' ' ' GLU . 72.4 mm-40 73.31 134.94 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.059 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -78.2 158.27 45.73 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.462 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -53.01 -51.26 62.22 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.922 0.392 . . . . 0.0 111.08 -179.723 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.76 -13.26 30.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.946 -0.57 . . . . 0.0 112.232 -179.723 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 53.0 m -77.04 -48.59 17.46 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.935 0.398 . . . . 0.0 111.177 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -66.81 -43.07 84.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.921 -179.734 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.415 ' O ' ' N ' ' A' ' 101' ' ' GLY . 6.5 m-20 -68.74 -34.39 75.53 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.702 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 1.7 ttp180 -62.14 -66.58 0.52 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.742 0.306 . . . . 0.0 111.507 -178.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 67.8 t -69.68 -35.12 64.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 112.47 0.544 . . . . 0.0 112.47 -178.236 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -89.22 -26.07 21.41 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 119.587 -0.845 . . . . 0.0 111.901 -178.532 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 97' ' ' ASN . . . -38.6 -63.46 1.0 Allowed Glycine 0 CA--C 1.523 0.557 0 C-N-CA 121.227 -0.511 . . . . 0.0 113.142 179.682 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo -63.84 -9.34 18.5 Favored 'Trans proline' 0 CA--C 1.532 0.416 0 C-N-CA 122.684 2.256 . . . . 0.0 112.83 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 41.2 t -80.08 -54.9 10.02 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 CA-C-O 120.662 0.268 . . . . 0.0 111.022 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.404 HG13 HD11 ' A' ' 158' ' ' LEU . 97.2 t -66.85 -31.66 54.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 121.061 0.457 . . . . 0.0 110.81 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 7.1 mttt -58.82 -47.03 86.22 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.025 178.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -51.87 -40.84 50.58 Favored Glycine 0 C--N 1.334 0.453 0 CA-C-N 115.86 -0.609 . . . . 0.0 112.696 179.726 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 78.1 mt -71.87 -39.47 67.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.992 0.425 . . . . 0.0 110.385 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 13.9 t -64.45 -36.54 77.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.298 179.49 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -63.32 -37.95 95.66 Favored Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.885 -0.674 . . . . 0.0 112.94 -179.496 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' MET . . . . . 0.436 ' HG2' ' HB3' ' A' ' 48' ' ' GLU . 92.0 mtp -79.36 -24.73 42.48 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.712 0.291 . . . . 0.0 110.578 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 78.9 m -98.5 -17.81 18.54 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 113.293 0.849 . . . . 0.0 113.293 -177.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -67.51 103.74 1.4 Allowed 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.291 -0.564 . . . . 0.0 111.408 -178.57 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 23.0 mmtp -87.49 -17.93 31.0 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.057 179.208 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 40.3 p30 -110.69 1.48 17.95 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.768 -0.196 . . . . 0.0 111.342 179.239 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . 41.62 64.46 1.05 Allowed 'General case' 0 N--CA 1.462 0.172 0 N-CA-C 111.914 0.339 . . . . 0.0 111.914 179.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 56.7 p30 -121.81 -8.22 8.95 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 111.647 0.239 . . . . 0.0 111.647 179.24 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 83.19 4.98 89.44 Favored Glycine 0 C--N 1.334 0.447 0 C-N-CA 121.004 -0.617 . . . . 0.0 113.214 179.703 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -123.22 162.71 22.05 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.995 0.426 . . . . 0.0 110.926 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.485 HG23 ' CD1' ' A' ' 124' ' ' PHE . 49.3 mm -105.8 102.15 13.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.386 -179.62 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -84.12 162.35 20.31 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 179.617 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . 0.417 ' HA ' ' CE2' ' A' ' 142' ' ' PHE . . . -53.38 -38.57 63.48 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 121.015 -0.274 . . . . 0.0 111.276 -179.146 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -70.21 -25.49 63.43 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.924 -0.398 . . . . 0.0 109.924 179.235 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -82.54 -46.87 12.83 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.978 -0.379 . . . . 0.0 109.978 178.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . 0.485 ' CD1' HG23 ' A' ' 119' ' ' ILE . 0.8 OUTLIER -56.9 -46.7 81.75 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.872 0.367 . . . . 0.0 111.073 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -59.23 -45.31 91.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.43 -179.596 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -55.31 -32.39 62.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.427 -179.487 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 17.0 t90 -87.85 -41.3 13.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.602 0.239 . . . . 0.0 111.564 -178.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.418 ' O ' ' HB2' ' A' ' 133' ' ' MET . 0.2 OUTLIER -56.64 -42.42 78.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.925 0.393 . . . . 0.0 110.217 179.852 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 12.4 p -70.13 -25.3 63.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.37 179.265 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -66.67 -38.3 86.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.596 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 12.7 mt -81.65 6.41 15.25 Favored 'General case' 0 N--CA 1.464 0.271 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 -177.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 99.77 22.81 11.61 Favored Glycine 0 CA--C 1.518 0.263 0 C-N-CA 120.391 -0.909 . . . . 0.0 113.231 179.051 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' MET . . . . . 0.418 ' HB2' ' O ' ' A' ' 128' ' ' LEU . 7.6 mmt -99.72 156.07 17.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.729 0.265 . . . . 0.0 110.721 179.504 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 1.1 m -82.21 169.17 16.89 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.138 0.494 . . . . 0.0 111.748 -179.515 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 1.8 mmtp -70.07 -18.57 63.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.858 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -89.16 -24.7 22.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.934 0.397 . . . . 0.0 110.953 179.54 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -69.25 -40.95 77.55 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.606 -179.028 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -61.0 -61.05 2.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.817 0.341 . . . . 0.0 111.24 -179.566 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -44.96 -45.16 10.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.118 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.57 -49.28 55.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.86 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -62.07 -40.07 94.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.397 -179.444 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 142' ' ' PHE . . . . . 0.417 ' CE2' ' HA ' ' A' ' 121' ' ' ALA . 55.0 t80 -49.8 -58.92 4.4 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.979 179.347 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -55.91 -38.04 69.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.091 -0.504 . . . . 0.0 112.125 -179.334 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -63.41 -35.2 79.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.974 0.416 . . . . 0.0 111.224 -179.506 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . 0.451 ' O ' ' N ' ' A' ' 147' ' ' THR . 13.2 t -83.72 -38.36 14.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.752 -0.658 . . . . 0.0 112.754 -178.12 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.92 78.31 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.037 0.446 . . . . 0.0 111.51 -179.007 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 147' ' ' THR . . . . . 0.451 ' N ' ' O ' ' A' ' 145' ' ' VAL . 1.9 m -56.84 -29.84 63.23 Favored 'General case' 0 N--CA 1.463 0.208 0 N-CA-C 112.959 0.726 . . . . 0.0 112.959 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -102.6 8.38 39.77 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -178.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 38.14 35.03 0.24 Allowed Glycine 0 C--N 1.339 0.71 0 C-N-CA 121.305 -0.474 . . . . 0.0 113.452 179.546 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 15.6 p-10 -91.53 -4.59 55.27 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 -179.275 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 92.08 -1.03 73.27 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.414 -0.898 . . . . 0.0 113.366 179.251 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -134.67 135.01 41.74 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 117.269 0.535 . . . . 0.0 110.525 179.633 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . 0.42 ' CB ' ' HB ' ' A' ' 119' ' ' ILE . 8.3 mt -93.39 113.13 25.22 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.899 178.841 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.4 157.11 17.77 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.968 -179.223 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 155' ' ' LEU . . . . . 0.409 ' O ' ' HG ' ' A' ' 159' ' ' LEU . 46.1 mt -49.62 -42.91 46.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.404 179.594 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.58 -53.57 54.84 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.39 -179.7 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -63.13 -19.86 64.85 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.648 0.61 . . . . 0.0 112.648 -178.608 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 158' ' ' LEU . . . . . 0.404 HD11 HG13 ' A' ' 104' ' ' VAL . 62.8 mt -75.05 -69.69 0.46 Allowed 'General case' 0 CA--C 1.53 0.187 0 CA-C-O 121.065 0.46 . . . . 0.0 110.973 179.088 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . 0.409 ' HG ' ' O ' ' A' ' 155' ' ' LEU . 0.7 OUTLIER . . . . . 0 N--CA 1.469 0.489 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.648 -179.142 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 12.6 t . . . . . 0 N--CA 1.488 1.429 0 CA-C-O 120.818 0.342 . . . . 0.0 111.243 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -74.62 140.17 44.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.084 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -153.97 -81.82 0.08 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.012 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 36.9 mm -80.33 -26.67 11.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.927 179.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.75 -35.98 82.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.972 -179.34 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.0 p -60.7 -49.7 76.45 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.804 0.335 . . . . 0.0 111.37 -179.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -56.2 -48.89 75.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.682 -179.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.25 -48.21 82.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.486 -178.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.8 mt -76.73 -29.09 56.05 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.699 0.285 . . . . 0.0 111.536 -179.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.9 tmtt? -61.04 -55.06 37.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.748 0.308 . . . . 0.0 111.137 -179.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 44.4 mttp -58.63 -45.39 89.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.927 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.97 -28.14 1.52 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.179 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.419 ' CD2' ' OE1' ' A' ' 77' ' ' GLU . 68.3 t80 -72.69 -58.72 3.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.243 179.699 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.95 -14.42 62.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.909 179.2 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 8.8 mtp180 -73.73 -25.35 60.15 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.684 -0.235 . . . . 0.0 111.127 -179.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 56.3 m95 -97.45 -98.29 0.2 Allowed 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.852 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 39.71 73.94 0.11 Allowed 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 120.991 0.424 . . . . 0.0 111.517 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.407 ' CE2' ' N ' ' A' ' 32' ' ' GLU . 0.3 OUTLIER -54.39 -50.97 66.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.344 -179.023 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 18.3 p-10 -97.88 -12.17 22.41 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 111.611 0.226 . . . . 0.0 111.611 -179.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 74.6 45.72 21.74 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.575 -0.822 . . . . 0.0 112.325 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 15.6 p-10 -92.15 -10.23 39.56 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.701 0.26 . . . . 0.0 111.701 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 84.91 20.13 58.31 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.488 -0.863 . . . . 0.0 112.19 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -155.26 175.2 14.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.792 0.33 . . . . 0.0 110.678 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -112.67 116.29 29.91 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.796 179.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -116.2 172.07 7.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.447 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 21.8 ttt180 -69.69 -39.19 77.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.192 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.89 -22.59 49.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 179.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.42 -28.49 64.03 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.764 179.221 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -77.07 -36.54 55.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.975 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -64.75 -44.68 89.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.043 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.3 mttp -64.42 -37.88 89.09 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.118 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.407 ' N ' ' CE2' ' A' ' 18' ' ' PHE . 1.9 tm-20 -52.36 -63.64 1.08 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.226 179.475 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -47.0 -48.61 21.72 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.933 0.397 . . . . 0.0 111.039 179.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.32 -52.39 63.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.407 179.654 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -54.45 -26.67 32.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.883 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 28.8 mm -82.5 -53.36 11.91 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.973 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -43.25 -43.17 4.67 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 121.024 0.44 . . . . 0.0 111.218 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -60.12 -38.72 83.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.535 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -57.36 -26.22 60.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.413 -179.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -90.24 6.38 43.11 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.58 0.229 . . . . 0.0 111.45 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 50.83 69.86 1.0 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.436 -0.888 . . . . 0.0 112.24 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.6 mttm -148.3 -152.81 0.46 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 110.149 -0.315 . . . . 0.0 110.149 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.457 ' CB ' ' HB1' ' A' ' 46' ' ' ALA . 8.6 m-20 -68.8 -166.76 0.08 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.01 0.433 . . . . 0.0 111.562 -179.259 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -140.32 -60.08 0.53 Allowed 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 178.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -93.43 22.94 32.45 Favored Glycine 0 N--CA 1.451 -0.311 0 CA-C-N 114.932 -1.031 . . . . 0.0 112.232 179.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.457 ' HB1' ' CB ' ' A' ' 43' ' ' ASP . . . -71.24 -159.43 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 117.442 0.621 . . . . 0.0 110.845 179.181 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -89.24 -51.47 5.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.948 0.404 . . . . 0.0 110.388 178.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -51.79 -40.5 60.47 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.708 -179.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 43.1 t -76.41 -41.32 35.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 C-N-CA 121.05 -0.26 . . . . 0.0 110.443 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -60.75 -40.71 93.48 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 178.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 21.1 m -57.22 -58.83 6.49 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.04 178.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 50.0 tp -50.33 -58.77 4.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.317 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.81 -39.13 52.15 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.894 0.378 . . . . 0.0 110.219 179.129 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -58.98 -43.73 91.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.255 179.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.41 -49.94 56.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.055 179.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -51.15 -30.9 18.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.983 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -62.59 -51.14 58.26 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.537 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -61.13 -28.55 69.19 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.579 -0.82 . . . . 0.0 112.358 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.404 ' O ' HD21 ' A' ' 59' ' ' LEU . 0.6 OUTLIER -56.05 -41.74 75.49 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.874 0.369 . . . . 0.0 110.573 179.885 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 77.6 t80 -60.23 -40.81 91.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.425 179.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -45.27 -49.71 12.33 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.441 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -57.22 -39.26 75.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.966 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 80.2 mt -64.73 -54.37 32.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.846 179.58 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -56.0 -42.04 75.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.957 0.408 . . . . 0.0 110.903 179.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.7 -57.02 7.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.376 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -60.55 -42.15 95.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.891 -179.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.443 ' CB ' ' CD2' ' A' ' 75' ' ' LEU . . . -76.06 -25.98 56.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.974 0.416 . . . . 0.0 111.255 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 75.82 45.8 15.87 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 121.113 -0.565 . . . . 0.0 113.809 178.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 41.7 t -115.99 -78.66 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.762 0.281 . . . . 0.0 111.228 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 166.56 158.22 10.98 Favored Glycine 0 C--N 1.331 0.293 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.333 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 23.6 t -61.72 -21.93 64.93 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.695 0.283 . . . . 0.0 111.107 179.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -114.34 12.09 17.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.368 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -92.65 -165.83 38.65 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.564 -0.827 . . . . 0.0 112.271 179.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -141.4 154.14 45.44 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.049 0.452 . . . . 0.0 111.787 -179.155 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.443 ' CD2' ' CB ' ' A' ' 67' ' ' ALA . 1.3 mt -113.72 140.09 48.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.294 179.318 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 3.0 p -87.13 177.66 7.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.876 0.369 . . . . 0.0 111.1 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.419 ' OE1' ' CD2' ' A' ' 13' ' ' PHE . 2.3 tt0 -65.61 -50.83 63.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.188 179.663 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.53 -29.61 66.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.405 179.513 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.74 -43.89 62.34 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.936 0.398 . . . . 0.0 110.576 179.335 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.43 ' CE1' ' CG2' ' A' ' 84' ' ' THR . 6.9 t80 -52.63 -56.53 14.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.836 179.407 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 49.7 mt -54.02 -51.63 44.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.715 -179.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 7.6 ttt85 -56.56 -51.36 68.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.52 -179.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 16.7 m -72.3 -39.93 64.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 -179.331 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.43 ' CG2' ' CE1' ' A' ' 80' ' ' PHE . 36.7 p -61.15 -44.41 97.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.901 0.381 . . . . 0.0 110.194 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -49.71 -51.91 35.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.163 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.418 ' O ' ' N ' ' A' ' 90' ' ' GLU . 0.4 OUTLIER -60.1 -38.3 82.55 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.162 179.892 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.2 mt -58.7 -45.65 89.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.985 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.401 HG12 ' O ' ' A' ' 84' ' ' THR . 4.9 mm -73.35 -43.76 55.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.912 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -90.13 -78.33 0.37 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.889 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.418 ' N ' ' O ' ' A' ' 86' ' ' ASN . 0.3 OUTLIER -57.32 -162.12 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.897 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 66.88 147.64 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.646 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -79.96 155.53 38.85 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.794 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -52.62 -53.8 41.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.128 0.49 . . . . 0.0 110.168 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -63.08 -11.13 17.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.926 179.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 4.3 m -74.78 -43.97 51.99 Favored 'General case' 0 C--N 1.334 -0.089 0 CA-C-O 120.816 0.341 . . . . 0.0 111.074 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.457 ' CZ ' ' HG2' ' A' ' 163' ' ' ARG . 8.9 t80 -68.41 -42.04 79.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.087 0.47 . . . . 0.0 110.25 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 43.7 t30 -67.25 -34.18 76.89 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.151 179.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 12.6 mmm-85 -63.7 -61.4 2.33 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.115 -0.493 . . . . 0.0 112.101 -179.42 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 10.5 t -76.75 -36.09 26.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 N-CA-C 113.008 0.744 . . . . 0.0 113.008 -177.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.05 -27.62 21.88 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 119.708 -0.797 . . . . 0.0 111.558 -178.203 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.453 ' N ' ' HD2' ' A' ' 102' ' ' PRO . . . -43.48 -57.87 4.25 Favored Glycine 0 CA--C 1.522 0.518 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.848 179.58 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.453 ' HD2' ' N ' ' A' ' 101' ' ' GLY . 31.8 Cg_endo -64.58 -17.95 61.22 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.551 2.167 . . . . 0.0 112.261 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 44.4 t -81.05 -51.64 15.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 C-N-CA 120.786 -0.366 . . . . 0.0 110.452 179.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 4.4 t -69.59 -36.7 72.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.286 179.035 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.19 -58.04 9.32 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.697 179.561 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -42.91 -32.68 1.49 Allowed Glycine 0 C--N 1.333 0.409 0 C-N-CA 120.918 -0.658 . . . . 0.0 112.549 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 15.9 mt -74.57 -38.92 46.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.767 0.318 . . . . 0.0 110.853 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 46.3 t -63.7 -35.71 73.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.694 179.519 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -58.52 -42.29 95.88 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.118 179.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -79.4 -23.36 43.31 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 179.53 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 8.5 t -94.62 43.95 1.1 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.192 0.52 . . . . 0.0 111.346 -178.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -166.56 108.62 0.71 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.47 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.77 4.81 53.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.04 178.338 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 17.5 p30 -107.99 -19.58 13.46 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-O 120.801 0.334 . . . . 0.0 110.719 179.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . 65.67 61.44 0.68 Allowed 'General case' 0 C--N 1.334 -0.081 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.929 179.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 58.2 p30 -115.27 -14.0 11.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.34 179.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 81.25 8.83 86.77 Favored Glycine 0 CA--C 1.521 0.419 0 C-N-CA 120.838 -0.696 . . . . 0.0 113.077 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -125.17 164.26 20.65 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.024 0.44 . . . . 0.0 111.608 -179.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 35.8 mm -110.89 102.4 13.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.642 -179.302 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . 0.406 ' O ' ' N ' ' A' ' 123' ' ' GLU . 2.8 m-20 -85.08 158.16 20.51 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 179.332 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -47.42 -38.29 13.1 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 111.573 0.212 . . . . 0.0 111.573 -178.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -69.48 -26.44 64.56 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 110.024 -0.361 . . . . 0.0 110.024 179.284 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 120' ' ' ASN . 42.4 mt-10 -81.39 -46.29 14.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.056 178.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -57.25 -49.31 76.45 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.0 0.428 . . . . 0.0 111.071 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . 0.431 ' HA ' ' CB ' ' A' ' 138' ' ' ALA . . . -55.36 -46.2 76.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.064 -179.612 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -54.48 -32.82 58.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.613 -179.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' TRP . . . . . 0.41 ' NE1' HD13 ' A' ' 131' ' ' LEU . 14.2 t90 -82.94 -43.72 16.14 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 111.813 0.301 . . . . 0.0 111.813 -179.047 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.37 -40.55 91.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.087 -179.327 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' THR . . . . . 0.403 ' HA ' ' O ' ' A' ' 133' ' ' MET . 0.2 OUTLIER -72.52 -27.08 62.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.058 0.456 . . . . 0.0 109.918 179.05 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -65.53 -37.93 88.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.732 179.362 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.41 HD13 ' NE1' ' A' ' 127' ' ' TRP . 31.9 mt -85.49 -6.28 59.21 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 112.215 0.45 . . . . 0.0 112.215 -178.385 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 112.11 26.88 4.18 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.213 -0.994 . . . . 0.0 113.769 179.015 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' MET . . . . . 0.403 ' O ' ' HA ' ' A' ' 129' ' ' THR . 60.6 mmm -102.62 153.09 20.44 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 117.074 0.437 . . . . 0.0 110.054 179.118 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.04 164.28 23.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.761 0.315 . . . . 0.0 111.204 -179.396 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -65.38 -26.34 67.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.381 -179.357 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -80.38 -24.47 39.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.199 179.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -72.32 -41.22 66.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.625 -179.23 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . 0.431 ' CB ' ' HA ' ' A' ' 125' ' ' ALA . . . -59.32 -55.56 33.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.967 0.413 . . . . 0.0 110.923 -179.762 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -49.32 -41.92 40.01 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.52 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.34 -48.76 54.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.99 -179.3 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -63.5 -36.64 84.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.887 0.375 . . . . 0.0 111.733 -179.031 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 73.9 t80 -54.75 -60.16 3.73 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.01 179.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -55.07 -35.73 64.85 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.908 -0.587 . . . . 0.0 112.152 -178.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.75 -30.64 70.91 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 111.811 0.3 . . . . 0.0 111.811 -179.266 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . 0.444 ' O ' ' N ' ' A' ' 147' ' ' THR . 19.7 t -83.82 -35.45 11.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 -178.333 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -61.5 78.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.125 0.488 . . . . 0.0 111.493 -179.078 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' THR . . . . . 0.444 ' N ' ' O ' ' A' ' 145' ' ' VAL . 65.0 m -56.08 -33.32 64.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.53 -0.759 . . . . 0.0 112.524 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -99.05 7.51 45.86 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.467 0.543 . . . . 0.0 112.467 -178.462 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 41.38 41.2 2.94 Favored Glycine 0 C--N 1.335 0.481 0 C-N-CA 120.919 -0.657 . . . . 0.0 113.027 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 42.8 p30 -98.41 -7.61 28.38 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 111.799 0.296 . . . . 0.0 111.799 -179.376 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 90.43 2.78 72.85 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.485 -0.864 . . . . 0.0 113.62 179.126 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -132.95 134.48 44.57 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 117.548 0.674 . . . . 0.0 110.824 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 12.7 mt -101.97 104.33 15.01 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.553 179.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.26 162.09 15.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.387 -179.536 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -41.63 -40.72 2.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.552 -179.821 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.4 -60.85 3.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.07 0.462 . . . . 0.0 111.049 179.723 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -64.46 -14.09 55.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.89 -0.596 . . . . 0.0 112.253 -179.145 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 10.1 mt -71.29 -60.1 2.41 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.943 0.401 . . . . 0.0 110.957 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.16 -40.19 73.49 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.005 -179.701 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 90.3 m -51.8 -57.19 10.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.868 0.366 . . . . 0.0 110.378 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 161' ' ' ALA . . . . . 0.412 ' CB ' HG23 ' A' ' 145' ' ' VAL . . . -62.74 -41.12 99.04 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.698 179.219 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 162' ' ' VAL . . . . . 0.408 ' O ' ' HA ' ' A' ' 173' ' ' GLU . 84.8 t -51.29 -73.6 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.956 179.809 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 163' ' ' ARG . . . . . 0.457 ' HG2' ' CZ ' ' A' ' 96' ' ' PHE . 0.0 OUTLIER -78.88 90.7 4.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.862 179.879 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -171.12 34.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.071 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 51.0 p90 -99.94 -8.82 23.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.474 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -47.31 -71.73 0.07 Allowed 'General case' 0 C--O 1.232 0.135 0 CA-C-O 120.831 0.348 . . . . 0.0 110.952 179.778 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 167' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -104.8 121.91 44.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.909 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . 50.19 82.29 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.472 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 169' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -48.17 137.08 11.11 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.803 0.335 . . . . 0.0 111.236 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -115.96 -52.09 2.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.654 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . 0.423 ' O ' ' CB ' ' A' ' 172' ' ' VAL . 27.2 t0 -104.69 -24.57 12.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.804 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 172' ' ' VAL . . . . . 0.423 ' CB ' ' O ' ' A' ' 171' ' ' ASP . 5.6 t 81.93 23.92 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.194 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.463 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 173' ' ' GLU . . . . . 0.408 ' HA ' ' O ' ' A' ' 162' ' ' VAL . 0.1 OUTLIER 49.83 -163.08 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.402 179.81 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 84.9 mt -61.79 -60.41 3.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.321 -179.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 175' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -50.73 145.91 6.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.813 0.339 . . . . 0.0 110.861 -179.829 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.107 0 CA-C-O 118.37 -1.239 . . . . 0.0 112.417 -179.93 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 500' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 501' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 502' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 62.5 p . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.802 0.334 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.1 t -68.93 173.36 5.45 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.015 0.436 . . . . 0.0 110.95 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -164.17 -79.85 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.545 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.413 HG23 ' NH1' ' A' ' 8' ' ' ARG . 42.1 mt -82.94 -21.36 9.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.453 179.459 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.431 ' HA ' ' NE ' ' A' ' 8' ' ' ARG . . . -61.85 -40.47 95.46 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.203 -0.453 . . . . 0.0 112.211 -179.083 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.69 -49.34 77.89 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.984 0.421 . . . . 0.0 111.149 -179.674 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -51.97 -54.28 31.55 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.94 -179.372 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.431 ' NE ' ' HA ' ' A' ' 5' ' ' ALA . 0.4 OUTLIER -63.06 -43.73 97.78 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.23 0.456 . . . . 0.0 112.23 -178.606 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 85.4 mt -76.35 -36.6 58.13 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 -178.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.99 -55.61 32.67 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.785 0.326 . . . . 0.0 111.056 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.409 ' O ' ' N ' ' A' ' 15' ' ' ARG . 32.2 mtmt -57.69 -45.41 85.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.136 -179.715 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -48.11 -31.02 5.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.482 -179.774 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -73.31 -60.86 2.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.969 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -68.36 -17.84 64.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.84 179.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.409 ' N ' ' O ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -73.41 -16.64 61.32 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.665 0.269 . . . . 0.0 111.113 179.915 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 41.9 m0 -103.16 -98.38 0.3 Allowed 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 116.68 -0.236 . . . . 0.0 110.992 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 40.84 78.23 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 120.813 0.34 . . . . 0.0 111.879 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.409 ' CZ ' ' HA ' ' A' ' 32' ' ' GLU . 0.2 OUTLIER -55.93 -50.35 70.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.825 -179.106 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.402 ' OD1' ' N ' ' A' ' 19' ' ' ASP . 11.9 p-10 -96.2 -13.99 23.06 Favored 'General case' 0 CA--C 1.53 0.208 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 -179.221 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 78.95 42.53 12.37 Favored Glycine 0 CA--C 1.518 0.27 0 C-N-CA 120.449 -0.881 . . . . 0.0 112.678 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 39.1 p-10 -93.82 -8.18 41.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.859 0.33 . . . . 0.0 111.664 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 81.42 22.15 60.96 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.461 -0.876 . . . . 0.0 112.14 -179.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -156.2 171.82 19.53 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.6 0.238 . . . . 0.0 110.496 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.414 ' HB3' ' CD1' ' A' ' 75' ' ' LEU . 0.9 OUTLIER -110.89 121.07 44.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.783 0.325 . . . . 0.0 110.512 179.615 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -120.42 172.87 7.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 7.0 ptt-85 -70.53 -35.36 73.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.843 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.72 -21.55 64.6 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.134 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -69.11 -29.98 68.17 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.894 0.378 . . . . 0.0 109.984 179.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.406 ' HB3' ' CG ' ' A' ' 56' ' ' PHE . 20.7 m-85 -76.94 -35.32 57.36 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.346 179.48 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -65.75 -42.53 90.82 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.573 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.406 ' HB3' ' CE2' ' A' ' 18' ' ' PHE . 15.8 mmtt -66.22 -44.46 83.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.824 0.345 . . . . 0.0 110.283 179.614 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.409 ' HA ' ' CZ ' ' A' ' 18' ' ' PHE . 3.7 tp10 -49.13 -64.02 0.93 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.416 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -44.19 -46.67 8.99 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.01 0.433 . . . . 0.0 111.048 179.404 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.09 -54.13 42.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.36 179.34 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 37.8 t-80 -52.22 -36.01 50.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.58 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 57.4 mt -72.61 -53.16 19.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.667 179.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -44.69 -44.18 8.92 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.046 179.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 -59.56 -40.69 88.11 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.526 179.35 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.3 -26.31 66.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.567 179.491 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -92.14 0.92 57.47 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.421 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 66.58 17.54 66.9 Favored Glycine 0 C--N 1.333 0.386 0 C-N-CA 120.512 -0.852 . . . . 0.0 112.488 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.7 mmmp? -92.61 157.51 16.46 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.907 0.384 . . . . 0.0 111.207 -179.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -72.78 127.24 31.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.516 179.546 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.84 -14.18 62.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.467 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -103.7 12.64 53.69 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.356 -0.926 . . . . 0.0 113.73 -178.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.15 -164.01 0.05 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 117.282 0.541 . . . . 0.0 110.846 179.272 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -92.48 -46.36 7.68 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.239 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.0 -25.15 66.68 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.868 -179.151 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 11.0 p -76.22 -44.43 36.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 120.868 0.366 . . . . 0.0 110.494 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -60.67 -41.6 95.4 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 179.011 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 59.1 m -59.95 -54.83 41.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.061 178.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 58.5 tp -51.27 -61.08 2.45 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.159 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.4 mtpm? -51.38 -39.44 57.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.739 0.304 . . . . 0.0 110.443 179.172 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -58.5 -41.67 85.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.636 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.43 -50.41 52.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.985 0.422 . . . . 0.0 110.741 179.422 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.406 ' CG ' ' HB3' ' A' ' 29' ' ' PHE . 0.1 OUTLIER -53.04 -28.54 24.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.682 179.786 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -63.04 -52.23 49.41 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.485 -0.864 . . . . 0.0 112.327 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -60.83 -26.37 65.13 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.571 -0.823 . . . . 0.0 112.574 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -56.01 -43.8 78.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.735 0.303 . . . . 0.0 110.593 -179.819 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 56.6 t80 -59.28 -40.98 87.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.159 179.575 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -43.94 -48.69 8.59 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.902 0.382 . . . . 0.0 110.858 179.617 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 55.9 t80 -59.65 -39.73 85.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.465 179.369 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 14.6 mt -65.06 -55.32 19.54 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.644 179.688 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -55.38 -48.49 74.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.59 179.505 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 4.6 mtmt -64.25 -51.54 63.1 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.88 0.371 . . . . 0.0 110.602 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -61.57 -41.5 97.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.797 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -75.31 -26.06 58.37 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.069 0.461 . . . . 0.0 111.385 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 102.65 1.57 49.74 Favored Glycine 0 CA--C 1.519 0.314 0 C-N-CA 120.803 -0.713 . . . . 0.0 113.921 178.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 33.7 m -103.46 175.6 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 117.13 0.465 . . . . 0.0 110.576 179.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -84.61 175.6 50.79 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.916 -0.659 . . . . 0.0 114.086 -178.265 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.91 -15.66 59.59 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 115.099 -0.55 . . . . 0.0 110.915 178.198 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -111.57 13.0 21.31 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 122.573 0.349 . . . . 0.0 111.678 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -93.05 -164.42 37.64 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.437 -0.887 . . . . 0.0 112.703 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 58.2 m -141.61 153.74 44.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.926 0.394 . . . . 0.0 111.224 -179.173 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.414 ' CD1' ' HB3' ' A' ' 24' ' ' LEU . 0.1 OUTLIER -115.86 141.19 48.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.45 179.664 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 7.8 p -85.58 178.67 7.31 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.828 0.347 . . . . 0.0 111.082 -179.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -71.45 -49.42 41.67 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.526 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -57.53 -31.69 66.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.077 179.37 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -73.79 -41.37 62.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.03 178.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -53.11 -51.53 61.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.355 178.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 59.9 mt -55.91 -52.07 53.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.484 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.77 -52.0 67.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.785 -179.612 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 18.5 m -72.02 -42.26 68.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 N-CA-C 112.022 0.379 . . . . 0.0 112.022 -179.332 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 83.2 m -61.16 -46.75 89.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.022 0.439 . . . . 0.0 110.374 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -50.88 -47.93 60.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.85 -0.613 . . . . 0.0 111.411 -179.819 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -59.04 -37.69 77.6 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.425 -179.733 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.8 mt -60.45 -47.97 83.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.389 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 28.0 mm -71.0 -45.07 74.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.509 -179.39 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 -89.2 -78.29 0.36 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.72 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.58 -158.53 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.701 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 66.42 142.79 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.935 0.397 . . . . 0.0 110.677 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -76.17 155.85 46.39 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.959 -0.638 . . . . 0.0 113.185 -179.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -55.15 -52.93 61.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.164 0.506 . . . . 0.0 110.434 179.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.63 -11.96 20.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.541 -0.754 . . . . 0.0 112.164 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.4 t -74.86 -42.99 56.85 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.728 0.299 . . . . 0.0 110.897 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.403 ' O ' ' HB3' ' A' ' 100' ' ' LEU . 0.2 OUTLIER -68.72 -43.05 76.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.071 179.896 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 20.8 m-20 -66.36 -37.04 84.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.653 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 7.8 ttm180 -63.66 -64.66 0.84 Allowed 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.305 0.483 . . . . 0.0 112.305 -179.033 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 38.2 t -70.55 -35.75 62.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 112.917 0.71 . . . . 0.0 112.917 -177.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.403 ' HB3' ' O ' ' A' ' 96' ' ' PHE . 5.1 tp -87.95 -28.12 21.68 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 119.893 -0.723 . . . . 0.0 111.65 -178.149 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -44.95 -56.84 5.7 Favored Glycine 0 CA--C 1.519 0.322 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.45 179.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -62.77 -20.15 70.37 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.721 2.28 . . . . 0.0 111.845 179.425 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 6.3 t -78.37 -51.69 17.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.046 -179.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 8.5 t -68.2 -32.83 57.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 120.981 0.42 . . . . 0.0 110.929 179.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -56.64 -53.39 58.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.692 179.467 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -47.26 -36.13 10.05 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.746 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.401 ' O ' ' HG3' ' A' ' 110' ' ' MET . 23.9 mt -74.44 -39.0 47.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.802 0.334 . . . . 0.0 111.226 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 35.1 t -60.81 -37.18 75.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.742 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -57.89 -42.13 94.55 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.429 179.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' MET . . . . . 0.401 ' HG3' ' O ' ' A' ' 107' ' ' ILE . 4.1 ptp -79.66 -26.55 41.01 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.804 0.335 . . . . 0.0 110.505 179.734 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 65.2 m -93.48 45.3 1.16 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.15 0.5 . . . . 0.0 111.309 -178.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 34.0 t0 -165.9 107.91 0.75 Allowed 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.585 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -93.55 -3.03 53.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.149 178.724 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -102.04 -13.26 17.61 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-O 120.596 0.236 . . . . 0.0 110.877 179.528 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . 61.99 56.96 2.2 Favored 'General case' 0 C--N 1.332 -0.155 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 179.15 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 47.4 p30 -112.83 -12.64 13.29 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 121.022 -0.271 . . . . 0.0 111.202 179.173 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 79.73 8.65 87.54 Favored Glycine 0 C--N 1.334 0.431 0 C-N-CA 120.82 -0.705 . . . . 0.0 113.346 179.328 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -121.4 165.19 15.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.032 0.444 . . . . 0.0 111.447 -179.51 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.442 HG13 HD13 ' A' ' 158' ' ' LEU . 41.1 mm -111.54 99.69 9.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.74 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . 0.44 ' O ' ' N ' ' A' ' 123' ' ' GLU . 5.9 m120 -85.72 160.27 19.57 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 179.506 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -47.97 -36.84 13.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.731 0.3 . . . . 0.0 110.839 -179.188 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -71.14 -28.58 64.38 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.013 179.002 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 120' ' ' ASN . 45.5 mt-10 -81.73 -48.96 10.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.159 179.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -56.7 -51.74 67.62 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.799 0.333 . . . . 0.0 111.083 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . 0.423 ' HA ' ' CB ' ' A' ' 138' ' ' ALA . . . -53.13 -43.36 66.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.673 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -57.38 -34.11 68.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.588 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 13.5 t90 -81.87 -41.74 20.55 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 111.765 0.283 . . . . 0.0 111.765 -178.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.42 ' CD1' ' HA ' ' A' ' 138' ' ' ALA . 50.6 mt -61.0 -42.17 97.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.95 0.405 . . . . 0.0 110.869 -179.725 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 40.3 p -71.45 -19.64 62.2 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.311 179.001 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.78 -36.53 84.2 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.933 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -87.82 -5.49 58.59 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.62 -0.264 . . . . 0.0 111.572 -179.435 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 111.83 33.81 2.15 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.204 -0.998 . . . . 0.0 113.233 179.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' MET . . . . . . . . . . . . . 9.8 mmt -101.75 153.01 20.18 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 179.149 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 52.6 p -82.72 149.74 27.12 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.618 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 1.6 tptt -56.09 -25.34 45.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.929 -179.096 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -75.65 -25.99 57.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.917 0.389 . . . . 0.0 111.027 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -73.34 -33.94 65.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.674 -179.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . 0.423 ' CB ' ' HA ' ' A' ' 125' ' ' ALA . . . -60.99 -59.34 5.53 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.037 0.446 . . . . 0.0 110.742 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -47.57 -43.49 25.43 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.24 179.551 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.42 -51.2 31.2 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.751 -179.382 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -63.07 -36.04 82.25 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.115 0.483 . . . . 0.0 111.188 -179.187 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 71.9 t80 -54.42 -59.96 3.99 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.02 179.446 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 40.0 t30 -56.83 -34.31 67.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.477 -0.783 . . . . 0.0 112.912 -178.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' GLN . . . . . 0.417 ' NE2' ' CD1' ' A' ' 170' ' ' LEU . 0.1 OUTLIER -67.3 -33.28 74.96 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 112.25 0.463 . . . . 0.0 112.25 -178.702 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . 0.436 ' O ' ' N ' ' A' ' 147' ' ' THR . 13.3 t -84.76 -33.07 7.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 N-CA-C 112.626 0.602 . . . . 0.0 112.626 -178.153 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.15 78.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.026 0.441 . . . . 0.0 111.368 -179.36 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' THR . . . . . 0.436 ' N ' ' O ' ' A' ' 145' ' ' VAL . 0.2 OUTLIER -56.56 -34.7 67.37 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.629 -0.714 . . . . 0.0 112.56 179.468 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' ASN . . . . . 0.417 ' ND2' ' OE2' ' A' ' 157' ' ' GLU . 30.5 p30 -94.5 7.43 45.61 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 -178.36 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 40.95 38.57 1.71 Allowed Glycine 0 C--N 1.336 0.535 0 C-N-CA 121.096 -0.573 . . . . 0.0 112.969 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 30.2 p-10 -94.99 -7.37 39.98 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 111.644 0.239 . . . . 0.0 111.644 -179.466 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 87.75 6.83 75.89 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.452 -0.88 . . . . 0.0 113.431 179.167 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -135.06 135.19 41.08 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 117.507 0.654 . . . . 0.0 111.149 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 6.9 mt -100.62 101.56 12.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.12 178.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 12.6 p -87.57 169.96 11.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.157 0.503 . . . . 0.0 111.977 -178.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 58.5 mt -48.61 -46.47 39.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.161 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.78 -61.01 2.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.298 -179.716 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 157' ' ' GLU . . . . . 0.417 ' OE2' ' ND2' ' A' ' 148' ' ' ASN . 17.9 mt-10 -65.41 -14.91 61.94 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.948 -0.569 . . . . 0.0 112.362 -179.014 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . 0.442 HD13 HG13 ' A' ' 119' ' ' ILE . 0.4 OUTLIER -70.17 -66.88 0.54 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.941 0.4 . . . . 0.0 110.485 179.596 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 2.3 pp -50.24 -31.21 13.44 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.015 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 21.0 m -56.62 -61.62 2.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.009 0.433 . . . . 0.0 110.678 179.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -61.2 -32.72 72.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.005 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 74.8 t -51.19 -61.15 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.357 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -108.36 66.19 0.64 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.113 0.482 . . . . 0.0 110.704 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -115.29 -29.44 6.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.053 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 29.3 p90 -48.68 123.8 7.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.054 0.454 . . . . 0.0 111.641 -179.497 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 172.29 154.01 0.08 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.378 179.474 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 167' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 59.63 -84.68 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.528 179.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -105.44 -26.37 6.24 Favored Glycine 0 C--N 1.331 0.278 0 C-N-CA 120.645 -0.788 . . . . 0.0 113.053 -179.491 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 169' ' ' ARG . . . . . . . . . . . . . 8.3 ptm180 46.55 -164.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.707 0.289 . . . . 0.0 111.097 -179.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 170' ' ' LEU . . . . . 0.417 ' CD1' ' NE2' ' A' ' 144' ' ' GLN . 0.0 OUTLIER -165.82 -82.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.991 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -169.81 49.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.468 -179.566 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -109.31 -89.53 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.311 179.692 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 62.04 -174.96 0.14 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.001 0.429 . . . . 0.0 111.543 179.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 29.0 tp -110.35 -33.74 6.54 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.017 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 175' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -89.21 16.45 7.29 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.561 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.44 -1.2 . . . . 0.0 112.557 179.994 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 500' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 501' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 502' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 3.1 m . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 120.759 0.314 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 28.2 m -123.04 -65.09 1.12 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.142 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -50.59 170.94 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.114 -179.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 15.7 mm -79.4 -34.24 15.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.457 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.12 -29.66 70.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.804 -179.429 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.7 m -61.3 -43.29 99.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.839 0.352 . . . . 0.0 111.224 -179.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.31 -45.86 89.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.555 -179.403 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.14 -43.62 98.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.475 -179.033 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 46.0 mt -77.41 -36.58 53.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.666 0.27 . . . . 0.0 111.452 -179.15 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.74 -57.46 12.92 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.786 0.326 . . . . 0.0 110.878 -179.797 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.413 ' O ' ' N ' ' A' ' 15' ' ' ARG . 5.8 mttt -56.25 -45.44 80.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.91 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.415 ' NH2' ' CZ2' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -47.63 -30.39 3.65 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.916 0.389 . . . . 0.0 111.011 179.896 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -74.11 -58.98 2.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.646 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -69.38 -14.38 62.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.155 179.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.413 ' N ' ' O ' ' A' ' 11' ' ' LYS . 0.2 OUTLIER -73.03 -21.94 60.72 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.601 0.239 . . . . 0.0 111.138 -179.626 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.415 ' CZ2' ' NH2' ' A' ' 12' ' ' ARG . 6.4 m0 -99.0 -93.84 0.25 Allowed 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 116.631 -0.258 . . . . 0.0 111.108 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 40.33 73.35 0.12 Allowed 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 121.013 0.435 . . . . 0.0 111.667 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -54.24 -51.23 65.17 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.578 -179.309 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 25.8 p-10 -99.13 -13.25 19.87 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 -179.417 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.87 47.57 9.47 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.41 -0.9 . . . . 0.0 112.247 -179.539 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 41.6 p-10 -93.18 -9.63 38.62 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 111.785 0.291 . . . . 0.0 111.785 -179.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 80.0 21.07 66.33 Favored Glycine 0 C--N 1.331 0.303 0 C-N-CA 120.551 -0.833 . . . . 0.0 112.391 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -155.67 176.4 12.67 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 110.184 -0.302 . . . . 0.0 110.184 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -115.01 122.16 45.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.726 0.298 . . . . 0.0 110.532 179.683 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -121.48 172.48 8.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.004 0.43 . . . . 0.0 110.884 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.08 -34.25 76.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.878 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.1 -20.71 66.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.105 179.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -71.31 -32.9 69.17 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.908 0.385 . . . . 0.0 110.058 179.421 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 -77.15 -37.1 54.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.799 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -64.16 -40.04 95.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.458 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 12.5 mttt -66.53 -38.95 88.26 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.898 0.38 . . . . 0.0 110.11 179.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -49.86 -65.03 0.63 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.482 179.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -45.23 -47.7 12.7 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.013 0.435 . . . . 0.0 110.786 179.585 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -61.74 -54.64 39.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.056 179.193 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 37.9 t-80 -54.39 -41.79 69.66 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.436 179.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 17.7 mm -66.08 -56.75 13.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 179.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -42.21 -42.27 2.98 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.905 0.383 . . . . 0.0 111.359 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -59.52 -38.78 81.86 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.111 179.536 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.14 -27.32 66.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.068 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -90.48 2.16 55.97 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.325 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 59.1 15.88 31.1 Favored Glycine 0 C--N 1.333 0.398 0 C-N-CA 120.865 -0.683 . . . . 0.0 113.118 179.41 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.86 92.99 6.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.855 0.359 . . . . 0.0 110.916 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.401 ' HB3' ' HB1' ' A' ' 46' ' ' ALA . 0.7 OUTLIER 38.64 -158.53 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.94 179.479 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -139.67 -57.44 0.57 Allowed 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 107.733 -1.21 . . . . 0.0 107.733 177.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -96.47 27.79 15.92 Favored Glycine 0 N--CA 1.451 -0.322 0 CA-C-N 114.628 -1.169 . . . . 0.0 111.829 178.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.401 ' HB1' ' HB3' ' A' ' 43' ' ' ASP . . . -69.89 -169.3 0.25 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.876 0.369 . . . . 0.0 111.244 179.747 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -80.83 -53.32 6.58 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.402 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -59.59 -27.43 66.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.833 -178.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.0 t -76.41 -43.27 36.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 179.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 33.8 tp60 -61.12 -42.2 98.1 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 178.388 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 54.1 m -59.82 -56.8 17.27 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.474 179.15 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 40.1 tp -52.29 -58.44 6.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.322 -179.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -51.42 -39.97 58.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.752 0.31 . . . . 0.0 110.482 179.448 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 15.2 t30 -59.23 -41.33 88.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.829 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.89 -41.5 82.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.761 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -57.5 -29.8 64.59 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.764 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -65.97 -49.41 58.68 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.935 -0.65 . . . . 0.0 112.756 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.4 ' O ' ' HB2' ' A' ' 61' ' ' ASP . . . -58.76 -33.48 73.11 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.855 -179.705 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 27.1 tp -54.97 -36.24 65.15 Favored 'General case' 0 C--N 1.328 -0.368 0 O-C-N 122.669 -0.312 . . . . 0.0 110.85 -179.414 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.434 ' HA ' ' CD1' ' A' ' 63' ' ' LEU . 18.2 t80 -63.37 -43.56 97.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.986 179.769 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.4 ' HB2' ' O ' ' A' ' 58' ' ' GLY . 1.3 m-20 -43.55 -49.16 7.51 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.415 -179.763 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -57.22 -35.16 69.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.037 0.446 . . . . 0.0 110.569 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.434 ' CD1' ' HA ' ' A' ' 60' ' ' PHE . 27.5 mt -66.29 -54.86 19.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.033 179.755 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.42 ' O ' ' N ' ' A' ' 68' ' ' GLY . . . -56.05 -42.9 77.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.936 0.398 . . . . 0.0 111.142 -179.738 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.64 -57.95 6.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.267 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.83 -41.58 97.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.768 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -77.49 -25.65 50.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.984 0.421 . . . . 0.0 111.118 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 64' ' ' ALA . . . 80.19 53.77 4.05 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.873 -0.679 . . . . 0.0 113.634 178.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.445 ' CG1' ' HA3' ' A' ' 73' ' ' GLY . 92.4 t -111.38 -88.08 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.67 0.235 . . . . 0.0 111.268 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.551 ' O ' ' CB ' ' A' ' 71' ' ' SER . . . 177.04 -20.95 0.05 OUTLIER Glycine 0 CA--C 1.525 0.693 0 C-N-CA 119.681 -1.247 . . . . 0.0 114.607 -179.761 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.551 ' CB ' ' O ' ' A' ' 70' ' ' GLY . 21.7 m 110.57 -27.75 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 124.197 0.999 . . . . 0.0 109.915 -178.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -110.62 5.87 21.35 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.315 179.807 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.445 ' HA3' ' CG1' ' A' ' 69' ' ' VAL . . . -95.03 -156.02 31.78 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.225 -0.988 . . . . 0.0 112.599 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -143.26 155.75 44.57 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.041 0.448 . . . . 0.0 111.635 -179.229 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -115.31 136.92 52.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.251 179.422 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 2.2 p -84.33 171.88 12.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.996 -179.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -62.18 -49.07 77.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.74 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -58.21 -31.33 67.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.243 179.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -73.2 -42.04 63.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.279 179.135 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.461 ' CE1' ' OG1' ' A' ' 84' ' ' THR . 36.0 t80 -51.8 -56.08 16.05 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.782 179.364 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.47 HG22 HD11 ' A' ' 81' ' ' ILE . 37.4 mt -54.86 -49.33 70.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.583 -179.612 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 5.3 mtm-85 -58.78 -54.98 40.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.656 -179.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 50.8 t -71.33 -40.55 73.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 -179.18 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.461 ' OG1' ' CE1' ' A' ' 80' ' ' PHE . 68.7 m -60.2 -43.79 95.65 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.934 0.397 . . . . 0.0 110.007 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -47.27 -52.97 14.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.291 179.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -60.02 -36.42 77.22 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.441 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.87 -46.3 81.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.491 179.754 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 10.5 mt -74.54 -39.66 47.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.812 179.625 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -91.37 -82.37 0.3 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.229 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.35 -167.5 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.285 -179.603 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.443 ' HB3' ' CB ' ' A' ' 95' ' ' SER . 3.1 mt-30 75.25 -74.35 0.08 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.817 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 123.14 172.72 13.9 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.223 -0.989 . . . . 0.0 113.355 179.438 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -57.31 -57.79 11.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.035 0.445 . . . . 0.0 111.265 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -59.41 -14.62 12.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.742 -0.663 . . . . 0.0 112.577 -179.113 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.443 ' CB ' ' HB3' ' A' ' 91' ' ' GLN . 0.2 OUTLIER -77.5 -44.47 28.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.724 0.297 . . . . 0.0 111.013 -179.73 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.428 ' CG ' ' HD3' ' A' ' 163' ' ' ARG . 0.6 OUTLIER -70.8 -40.01 72.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.963 179.849 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.415 ' O ' ' N ' ' A' ' 101' ' ' GLY . 0.7 OUTLIER -68.6 -36.98 79.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.069 -0.514 . . . . 0.0 112.015 -179.37 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 3.4 ttp85 -64.54 -66.64 0.52 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.805 0.336 . . . . 0.0 111.73 -179.05 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 4.0 p -65.26 -39.38 85.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.155 -0.475 . . . . 0.0 112.274 -178.208 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.419 HD21 ' CE2' ' A' ' 96' ' ' PHE . 8.4 tp -88.48 -24.21 23.03 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 120.203 -0.599 . . . . 0.0 112.12 -177.844 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.468 ' N ' ' HD2' ' A' ' 102' ' ' PRO . . . -40.4 -53.46 3.47 Favored Glycine 0 CA--C 1.523 0.558 0 C-N-CA 120.902 -0.666 . . . . 0.0 112.947 179.502 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.468 ' HD2' ' N ' ' A' ' 101' ' ' GLY . 58.5 Cg_endo -71.43 -9.31 24.99 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.619 2.212 . . . . 0.0 112.478 179.458 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 86.1 t -80.98 -53.81 11.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.882 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 45.5 t -69.01 -33.38 58.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.116 0.484 . . . . 0.0 110.612 179.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 17.3 mttt -58.76 -46.75 86.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.425 178.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -52.7 -36.96 50.32 Favored Glycine 0 N--CA 1.451 -0.301 0 CA-C-N 115.756 -0.656 . . . . 0.0 112.558 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.449 HG22 ' CZ2' ' A' ' 127' ' ' TRP . 26.3 mm -73.69 -40.49 54.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.909 0.385 . . . . 0.0 110.793 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 43.6 t -64.08 -36.59 77.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.298 179.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -60.93 -40.71 98.77 Favored Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.869 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 5.1 ptp -78.67 -23.99 45.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.616 0.245 . . . . 0.0 111.307 -179.307 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 26.1 t -98.99 -21.74 16.09 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 113.157 0.799 . . . . 0.0 113.157 -178.071 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . 0.404 ' OD2' ' N ' ' A' ' 117' ' ' GLY . 2.1 m-20 -63.52 104.53 0.65 Allowed 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.377 -0.529 . . . . 0.0 111.395 -178.417 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.79 -20.44 27.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.745 -0.662 . . . . 0.0 110.816 179.107 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 21.1 p-10 -108.65 7.84 26.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.496 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . 42.03 57.32 3.26 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.68 0.276 . . . . 0.0 111.509 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 24.4 p-10 -116.31 -11.06 11.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.721 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . 0.404 ' N ' ' OD2' ' A' ' 112' ' ' ASP . . . 77.85 11.43 85.42 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.906 179.812 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -123.51 166.27 15.7 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.941 0.401 . . . . 0.0 111.289 -179.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 47.7 mm -109.44 100.31 10.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.331 -179.337 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . 0.423 ' O ' ' N ' ' A' ' 123' ' ' GLU . 1.0 OUTLIER -85.17 158.79 20.28 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 178.853 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . 0.437 ' HA ' ' CD1' ' A' ' 142' ' ' PHE . . . -48.77 -35.88 15.26 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.83 -0.348 . . . . 0.0 111.1 -179.075 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.5 -29.14 65.58 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 178.734 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . 0.423 ' N ' ' O ' ' A' ' 120' ' ' ASN . 25.9 mt-10 -79.61 -48.98 12.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.31 -0.404 . . . . 0.0 109.994 178.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . 0.485 ' CE2' ' CD1' ' A' ' 128' ' ' LEU . 20.7 t80 -57.14 -50.89 71.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.352 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -53.67 -45.93 70.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.16 -179.459 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -55.2 -33.75 63.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.615 -179.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' TRP . . . . . 0.449 ' CZ2' HG22 ' A' ' 107' ' ' ILE . 8.2 t90 -83.83 -45.01 13.74 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 112.356 0.502 . . . . 0.0 112.356 -178.568 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.485 ' CD1' ' CE2' ' A' ' 124' ' ' PHE . 12.1 mt -59.08 -41.36 87.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.791 0.329 . . . . 0.0 111.062 -179.205 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -71.36 -26.54 62.85 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.239 178.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.96 -36.54 83.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.762 -0.653 . . . . 0.0 111.177 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 11.6 mt -84.85 3.45 37.82 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.364 0.505 . . . . 0.0 112.364 -178.362 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 104.72 24.31 7.42 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.094 -1.05 . . . . 0.0 113.633 178.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' MET . . . . . 0.419 ' CG ' ' O ' ' A' ' 128' ' ' LEU . 3.2 mmt -99.48 155.13 17.72 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 117.04 0.42 . . . . 0.0 110.165 179.339 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -82.78 163.7 21.08 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.754 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -66.76 -22.15 66.05 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.723 -179.322 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -80.29 -26.72 38.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.427 -0.352 . . . . 0.0 111.142 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -73.54 -38.63 65.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.345 -179.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . 0.436 ' HA ' ' CD1' ' A' ' 128' ' ' LEU . . . -60.45 -59.24 5.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.833 0.349 . . . . 0.0 110.959 -179.792 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -47.04 -43.65 20.01 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.172 179.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.02 -49.02 55.56 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.653 -179.477 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -62.78 -36.61 83.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.653 -179.139 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' PHE . . . . . 0.437 ' CD1' ' HA ' ' A' ' 121' ' ' ALA . 73.4 t80 -54.75 -59.23 5.01 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.803 179.513 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -57.51 -34.45 69.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.555 -0.748 . . . . 0.0 112.964 -179.19 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -67.61 -32.86 73.87 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 112.196 0.443 . . . . 0.0 112.196 -178.389 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . 0.45 ' O ' ' N ' ' A' ' 147' ' ' THR . 16.5 t -83.39 -29.49 7.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 112.205 0.446 . . . . 0.0 112.205 -178.677 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -62.35 78.16 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.163 0.506 . . . . 0.0 111.274 -179.09 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' THR . . . . . 0.45 ' N ' ' O ' ' A' ' 145' ' ' VAL . 47.3 m -56.13 -33.26 64.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.514 -0.766 . . . . 0.0 112.529 179.746 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' ASN . . . . . 0.42 ' ND2' ' OE2' ' A' ' 157' ' ' GLU . 29.0 p30 -98.2 7.12 46.72 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.498 0.555 . . . . 0.0 112.498 -178.449 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 39.72 38.19 1.05 Allowed Glycine 0 C--N 1.335 0.501 0 C-N-CA 121.067 -0.587 . . . . 0.0 113.511 179.585 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 43.9 p-10 -95.55 -5.15 43.36 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.581 0.229 . . . . 0.0 111.583 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 91.26 1.97 71.48 Favored Glycine 0 C--N 1.333 0.409 0 C-N-CA 120.633 -0.794 . . . . 0.0 113.669 178.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -132.97 135.08 45.29 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 117.517 0.659 . . . . 0.0 111.145 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 21.0 mt -95.86 102.34 14.12 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.024 178.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 50.5 m -86.86 161.12 18.48 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.117 0.484 . . . . 0.0 111.54 -179.024 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 155' ' ' LEU . . . . . 0.402 ' O ' ' HG ' ' A' ' 159' ' ' LEU . 1.5 tt -48.34 -44.09 33.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.235 -179.791 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -55.7 -60.36 3.55 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.537 -179.459 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 157' ' ' GLU . . . . . 0.42 ' OE2' ' ND2' ' A' ' 148' ' ' ASN . 31.9 mt-10 -63.0 -17.39 62.15 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.908 -0.587 . . . . 0.0 112.377 -178.666 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 4.4 mt -71.92 -48.73 43.4 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.758 0.313 . . . . 0.0 110.341 179.208 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . 0.445 ' HA ' ' CG1' ' A' ' 162' ' ' VAL . 0.9 OUTLIER -65.9 -43.2 88.94 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.048 -179.768 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -52.2 -57.06 10.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.841 -179.758 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -56.02 -60.87 2.86 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.922 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 162' ' ' VAL . . . . . 0.445 ' CG1' ' HA ' ' A' ' 159' ' ' LEU . 9.7 p -53.34 -39.32 35.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.781 0.324 . . . . 0.0 111.164 179.796 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 163' ' ' ARG . . . . . 0.428 ' HD3' ' CG ' ' A' ' 96' ' ' PHE . 68.6 ttp85 -82.05 56.29 3.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.864 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -179.85 58.06 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.891 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 165' ' ' PHE . . . . . 0.434 ' HA ' ' HB2' ' A' ' 169' ' ' ARG . 17.5 p90 -122.51 -33.34 3.45 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.991 -0.284 . . . . 0.0 111.764 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -52.97 -179.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.951 -0.3 . . . . 0.0 110.566 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 167' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 56.27 20.17 4.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.117 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . 73.76 101.56 0.08 OUTLIER Glycine 0 C--N 1.332 0.346 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.109 -179.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 169' ' ' ARG . . . . . 0.434 ' HB2' ' HA ' ' A' ' 165' ' ' PHE . 3.3 mmp_? -126.48 -87.8 0.58 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.613 0.244 . . . . 0.0 111.404 -179.577 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -175.74 -156.9 0.05 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.629 -0.26 . . . . 0.0 110.767 -179.684 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -90.8 60.21 4.38 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.863 0.363 . . . . 0.0 111.451 -179.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 172' ' ' VAL . . . . . 0.476 ' CG2' ' N ' ' A' ' 173' ' ' GLU . 0.5 OUTLIER -97.3 -93.88 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.494 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.074 179.271 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 173' ' ' GLU . . . . . 0.476 ' N ' ' CG2' ' A' ' 172' ' ' VAL . 3.8 pm0 40.31 -159.91 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 179.366 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 174' ' ' LEU . . . . . 0.411 ' HG ' ' CH2' ' A' ' 127' ' ' TRP . 0.6 OUTLIER -157.3 -53.75 0.08 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.805 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 175' ' ' LEU . . . . . . . . . . . . . 1.4 mt -58.03 170.79 0.6 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.973 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.373 -1.237 . . . . 0.0 112.5 179.979 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 500' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 501' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 502' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 3.4 t . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.804 0.335 . . . . 0.0 111.194 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -163.95 -54.49 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.275 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -71.06 -6.62 40.47 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.103 0.409 . . . . 0.0 112.103 -179.601 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 40.1 mt -78.18 -36.82 21.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 120.823 0.344 . . . . 0.0 111.242 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.479 ' HB3' ' CE1' ' A' ' 166' ' ' HIS . . . -61.46 -28.05 69.0 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.511 -179.477 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.01 -56.25 23.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.834 0.35 . . . . 0.0 110.671 179.792 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.11 -45.43 61.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.062 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.56 -48.16 82.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.344 -179.138 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.9 mt -75.96 -33.26 59.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.783 0.325 . . . . 0.0 111.1 -179.297 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.13 -63.76 1.19 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.734 -179.808 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' A' ' 15' ' ' ARG . 0.8 OUTLIER -50.56 -43.06 56.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.498 179.652 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.408 ' NH2' HD11 ' A' ' 175' ' ' LEU . 0.0 OUTLIER -45.23 -34.85 3.0 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.115 179.566 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 14.3 t80 -73.2 -53.96 9.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.565 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -70.92 -15.5 62.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.234 179.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.438 ' N ' ' O ' ' A' ' 11' ' ' LYS . 52.9 ttt-85 -75.53 -23.48 56.68 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 111.776 0.287 . . . . 0.0 111.776 -179.323 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.468 ' CH2' ' HG3' ' A' ' 32' ' ' GLU . 10.9 m95 -99.3 -96.53 0.24 Allowed 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 121.204 -0.198 . . . . 0.0 111.216 -179.693 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 41.05 73.08 0.13 Allowed 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.041 0.448 . . . . 0.0 111.432 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -54.85 -49.08 71.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.585 -178.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 33.0 p30 -98.04 -13.15 21.2 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 111.885 0.328 . . . . 0.0 111.885 -179.614 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.54 45.23 14.18 Favored Glycine 0 C--N 1.331 0.267 0 C-N-CA 120.498 -0.858 . . . . 0.0 112.624 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.6 p-10 -92.79 -8.63 43.12 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 111.814 0.301 . . . . 0.0 111.814 -179.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 78.69 20.45 71.15 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.38 -0.915 . . . . 0.0 111.921 -179.335 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -153.47 168.68 25.31 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.973 -0.381 . . . . 0.0 109.973 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -106.91 116.79 32.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.824 0.345 . . . . 0.0 110.768 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -120.01 169.35 10.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.846 -179.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.0 ttt180 -69.89 -42.17 73.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.39 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.33 -23.49 15.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.816 179.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -72.91 -28.81 62.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.192 179.378 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -75.74 -39.64 56.87 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.833 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -62.36 -37.4 85.56 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.154 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 19.1 mttt -68.22 -40.49 82.06 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.891 0.377 . . . . 0.0 110.233 179.147 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.468 ' HG3' ' CH2' ' A' ' 16' ' ' TRP . 75.6 tt0 -52.43 -67.45 0.25 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.237 179.66 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -44.0 -47.28 8.63 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.994 0.426 . . . . 0.0 111.033 179.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -62.68 -51.57 66.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.165 179.39 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -56.15 -25.65 47.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.674 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 20.6 mt -82.28 -54.3 9.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.849 179.659 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -44.53 -39.84 5.2 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 120.921 0.391 . . . . 0.0 111.053 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -60.55 -39.16 86.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.435 179.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -56.56 -21.77 28.75 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.693 0.282 . . . . 0.0 110.712 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -93.99 0.47 56.03 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.422 179.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 50.72 79.1 0.08 OUTLIER Glycine 0 C--N 1.333 0.396 0 C-N-CA 120.874 -0.679 . . . . 0.0 113.037 179.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 23.3 mtmt -149.81 -96.12 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 110.414 -0.217 . . . . 0.0 110.414 179.098 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -169.84 125.07 0.81 Allowed 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.907 0.384 . . . . 0.0 111.648 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.6 -6.92 22.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.836 179.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -102.24 15.6 56.18 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.501 -0.857 . . . . 0.0 113.326 -179.417 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.71 -166.49 0.15 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.964 0.411 . . . . 0.0 111.003 179.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -93.23 -46.65 7.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.327 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -62.5 -21.53 65.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.319 -179.684 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.419 ' CG1' ' N ' ' A' ' 50' ' ' GLN . 11.2 p -76.1 -47.38 31.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.085 179.454 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.419 ' N ' ' CG1' ' A' ' 49' ' ' VAL . 18.2 tt0 -60.89 -42.5 98.09 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 178.691 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 18.1 m -58.24 -56.22 24.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.075 179.186 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 18.1 tp -51.57 -59.26 4.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.277 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.6 mtpm? -51.08 -42.5 60.63 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.534 0.207 . . . . 0.0 110.649 179.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -57.26 -42.1 80.92 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 179.355 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.82 -41.72 82.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.673 179.224 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -61.35 -30.87 70.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.502 179.603 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -64.86 -50.93 55.8 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.387 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -57.06 -31.16 61.38 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.644 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 9.0 tp -59.1 -40.09 84.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.583 0.23 . . . . 0.0 110.883 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.405 ' O ' ' N ' ' A' ' 63' ' ' LEU . 42.6 t80 -59.37 -44.54 92.72 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 179.587 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -41.67 -47.44 3.96 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.981 0.419 . . . . 0.0 111.085 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 17.8 t80 -59.94 -36.62 77.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.931 179.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.405 ' N ' ' O ' ' A' ' 60' ' ' PHE . 58.8 mt -66.67 -55.89 13.12 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.103 -179.73 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.422 ' CB ' ' O ' ' A' ' 69' ' ' VAL . . . -55.04 -49.26 72.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.332 -0.395 . . . . 0.0 112.024 179.744 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.6 -50.37 69.65 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.802 0.334 . . . . 0.0 111.01 -179.499 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -63.33 -41.01 98.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.974 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -78.34 -26.19 46.69 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.904 0.383 . . . . 0.0 111.393 -179.511 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 64' ' ' ALA . . . 102.51 1.55 50.2 Favored Glycine 0 CA--C 1.52 0.377 0 C-N-CA 120.595 -0.812 . . . . 0.0 113.94 179.163 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.422 ' O ' ' CB ' ' A' ' 64' ' ' ALA . 35.5 m -102.75 171.57 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.997 0.399 . . . . 0.0 110.624 179.71 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -86.88 178.51 48.45 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 121.013 -0.613 . . . . 0.0 114.087 -178.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.2 t -64.95 -14.74 60.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.21 -0.495 . . . . 0.0 111.13 178.399 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -109.35 14.09 23.87 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.722 -0.217 . . . . 0.0 111.336 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -95.4 -165.08 34.84 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.426 -0.892 . . . . 0.0 112.92 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -141.68 155.06 45.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.867 0.365 . . . . 0.0 111.29 -179.552 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.5 mp -114.32 141.94 46.95 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.778 179.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 5.3 p -88.57 162.52 16.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.093 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -56.12 -48.4 76.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.963 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.43 -31.08 68.95 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.862 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 16.6 mm-40 -74.26 -40.99 61.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.066 0.46 . . . . 0.0 110.106 179.117 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.525 ' CE1' ' CG2' ' A' ' 84' ' ' THR . 39.5 t80 -53.8 -54.99 30.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.835 179.175 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 3.9 mt -53.79 -51.14 47.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.695 -179.581 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 31.3 mmt180 -58.15 -48.81 79.11 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.393 -179.559 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 21.5 t -73.04 -42.46 59.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 N-CA-C 112.259 0.466 . . . . 0.0 112.259 -179.317 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.525 ' CG2' ' CE1' ' A' ' 80' ' ' PHE . 33.4 p -59.0 -44.08 91.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.94 0.4 . . . . 0.0 110.577 -179.572 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -52.16 -47.63 65.36 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.245 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -59.94 -39.99 87.41 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.604 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.423 ' N ' HD21 ' A' ' 87' ' ' LEU . 0.7 OUTLIER -57.42 -50.12 74.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.477 -179.796 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 4.4 mt -71.62 -47.43 57.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.591 -179.516 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -89.2 -76.07 0.42 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.399 -179.46 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.65 -161.49 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.83 0.347 . . . . 0.0 110.85 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 11.2 mm-40 63.25 143.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.022 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -77.51 165.74 53.01 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.691 179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -56.56 -56.65 18.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.944 0.402 . . . . 0.0 110.947 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.93 -12.27 10.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.788 -0.642 . . . . 0.0 112.482 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.76 -47.47 30.92 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.805 0.336 . . . . 0.0 110.327 179.71 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -67.8 -44.42 77.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.96 179.736 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 15.1 m120 -68.11 -36.14 79.28 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.041 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 43.8 ttp85 -62.29 -66.08 0.59 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.684 -179.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 16.7 t -72.01 -34.4 50.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 112.917 0.71 . . . . 0.0 112.917 -178.149 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 3.2 tp -87.56 -28.07 22.19 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 119.673 -0.811 . . . . 0.0 111.858 -177.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.453 ' N ' ' HD2' ' A' ' 102' ' ' PRO . . . -41.57 -54.26 4.13 Favored Glycine 0 CA--C 1.523 0.554 0 C-N-CA 120.869 -0.681 . . . . 0.0 112.74 179.524 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.453 ' HD2' ' N ' ' A' ' 101' ' ' GLY . 57.0 Cg_endo -70.84 -15.15 33.05 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.644 2.229 . . . . 0.0 112.308 179.614 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 41.8 t -79.38 -52.82 14.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.944 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 26.9 t -67.15 -28.57 43.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.121 0.486 . . . . 0.0 110.403 179.341 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 8.6 mttt -57.84 -48.18 80.5 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.356 178.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -52.33 -44.57 58.32 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.3 179.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 4.9 mt -72.87 -32.25 39.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.83 0.348 . . . . 0.0 110.569 179.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 84.4 t -59.27 -42.01 85.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 179.132 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -75.66 57.36 2.99 Favored Glycine 0 CA--C 1.522 0.473 0 C-N-CA 121.021 -0.609 . . . . 0.0 112.159 178.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 22.3 mtp -159.05 -39.56 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.311 -0.444 . . . . 0.0 111.287 -179.581 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 2.7 m -92.35 43.21 1.12 Allowed 'General case' 0 CA--C 1.52 -0.186 0 CA-C-O 121.248 0.547 . . . . 0.0 111.625 -178.392 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . 0.434 ' OD1' ' N ' ' A' ' 115' ' ' ALA . 13.2 t70 -168.0 109.17 0.57 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.515 -179.578 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 9.1 mtmt -95.93 11.12 34.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.084 178.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -105.12 -19.66 13.75 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-O 120.8 0.333 . . . . 0.0 110.765 179.548 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . 0.434 ' N ' ' OD1' ' A' ' 112' ' ' ASP . . . 62.43 67.63 0.71 Allowed 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 179.312 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 25.8 p-10 -121.12 -11.21 8.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.389 179.237 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 84.5 2.62 88.88 Favored Glycine 0 CA--C 1.521 0.424 0 C-N-CA 120.586 -0.816 . . . . 0.0 113.406 179.412 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 12.0 mm-40 -124.85 165.56 17.82 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 117.323 0.562 . . . . 0.0 111.638 -179.389 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.441 ' HB ' ' CB ' ' A' ' 153' ' ' LEU . 25.6 mm -113.01 100.98 11.83 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.75 -179.138 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . 0.424 ' O ' ' N ' ' A' ' 123' ' ' GLU . 0.6 OUTLIER -86.01 160.04 19.44 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.686 -0.406 . . . . 0.0 110.042 179.345 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -48.4 -38.8 20.48 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.669 0.271 . . . . 0.0 111.282 -178.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -69.67 -27.52 65.1 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 179.111 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 120' ' ' ASN . 3.8 mt-10 -82.35 -46.71 13.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.25 -0.432 . . . . 0.0 109.892 178.739 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -56.57 -48.39 77.46 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.914 0.388 . . . . 0.0 110.847 179.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -54.92 -45.25 74.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.795 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -54.93 -34.43 63.16 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.657 -179.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 18.1 t90 -81.21 -39.85 24.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.784 0.326 . . . . 0.0 111.68 -179.005 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.08 -44.1 97.39 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.399 -179.601 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' THR . . . . . 0.41 ' HA ' ' O ' ' A' ' 133' ' ' MET . 18.1 p -73.45 -25.84 60.67 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.933 179.799 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -65.2 -37.74 88.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.051 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 3.4 mt -85.96 -6.4 59.06 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 112.237 0.458 . . . . 0.0 112.237 -178.349 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 114.11 24.21 4.6 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 119.938 -1.125 . . . . 0.0 114.069 178.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' MET . . . . . 0.41 ' O ' ' HA ' ' A' ' 129' ' ' THR . 2.3 mmt -100.93 154.48 18.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 117.263 0.532 . . . . 0.0 110.107 179.164 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 3.2 m -83.38 154.74 23.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.748 0.309 . . . . 0.0 110.595 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -59.79 -20.77 58.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.699 -179.396 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -80.26 -28.39 38.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.848 179.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -73.18 -39.0 65.97 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.074 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -58.9 -56.79 17.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.97 0.414 . . . . 0.0 110.416 179.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -49.56 -43.65 46.14 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.988 179.363 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -70.66 -48.09 56.6 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.658 -179.671 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . 0.422 ' HA ' ' NE2' ' A' ' 144' ' ' GLN . . . -63.32 -41.78 98.94 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.828 -179.222 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 62.3 t80 -51.28 -58.28 6.61 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.68 179.436 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -57.21 -34.5 68.59 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.739 -0.664 . . . . 0.0 112.19 -179.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' GLN . . . . . 0.422 ' NE2' ' HA ' ' A' ' 141' ' ' ALA . 5.7 mt-30 -66.12 -37.18 85.08 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 -178.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . 0.464 ' O ' ' N ' ' A' ' 147' ' ' THR . 21.3 t -84.01 -31.67 8.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 112.616 0.599 . . . . 0.0 112.616 -177.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.9 78.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.216 0.532 . . . . 0.0 110.936 -179.481 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' THR . . . . . 0.464 ' N ' ' O ' ' A' ' 145' ' ' VAL . 0.1 OUTLIER -56.9 -30.2 63.72 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.444 -0.798 . . . . 0.0 112.184 179.652 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' ASN . . . . . 0.4 ' ND2' ' OE2' ' A' ' 157' ' ' GLU . 46.9 p30 -99.57 5.92 45.89 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.488 0.551 . . . . 0.0 112.488 -178.513 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 41.02 41.75 2.77 Favored Glycine 0 C--N 1.336 0.536 0 C-N-CA 120.918 -0.658 . . . . 0.0 113.127 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 31.4 p-10 -96.47 -7.74 34.01 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 111.737 0.273 . . . . 0.0 111.737 -179.433 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 87.75 5.08 78.53 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.499 -0.858 . . . . 0.0 113.432 179.223 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -134.7 136.73 42.96 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 117.25 0.525 . . . . 0.0 111.401 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . 0.441 ' CB ' ' HB ' ' A' ' 119' ' ' ILE . 9.8 mt -99.84 102.48 13.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.1 178.751 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 14.0 m -90.49 168.43 11.84 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.922 0.392 . . . . 0.0 111.471 -179.137 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 5.6 tp -50.77 -45.63 59.13 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.677 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -56.66 -61.03 2.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.111 0.482 . . . . 0.0 110.106 179.501 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 157' ' ' GLU . . . . . 0.4 ' OE2' ' ND2' ' A' ' 148' ' ' ASN . 36.2 mt-10 -65.11 -13.28 57.69 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.655 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . 0.407 ' CD1' HG13 ' A' ' 119' ' ' ILE . 0.2 OUTLIER -70.47 -42.32 71.6 Favored 'General case' 0 N--CA 1.457 -0.099 0 CA-C-O 120.954 0.407 . . . . 0.0 110.016 179.183 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.05 -32.7 69.48 Favored 'General case' 0 CA--C 1.52 -0.177 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.039 179.337 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 24.1 m -51.64 -25.9 7.98 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.363 179.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -66.64 -43.97 83.2 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.887 179.003 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 6.9 t -53.88 -44.65 61.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.758 -179.64 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 11.1 ptp180 -78.93 66.64 4.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.04 -0.527 . . . . 0.0 112.046 -178.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -179.77 36.31 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.884 0.373 . . . . 0.0 111.136 179.097 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 5.7 p90 -122.45 -38.36 2.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.715 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . 0.479 ' CE1' ' HB3' ' A' ' 5' ' ' ALA . 37.9 t60 -52.47 -55.52 21.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.865 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 167' ' ' PHE . . . . . 0.481 ' CD1' ' O ' ' A' ' 167' ' ' PHE . 31.6 p90 -100.44 118.74 37.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.027 0.441 . . . . 0.0 110.903 179.763 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . 45.59 66.23 1.66 Allowed Glycine 0 CA--C 1.519 0.304 0 C-N-CA 121.062 -0.59 . . . . 0.0 113.124 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 169' ' ' ARG . . . . . . . . . . . . . 2.6 ptm180 -58.58 129.53 42.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.635 0.255 . . . . 0.0 110.699 179.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -84.51 -87.4 0.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.553 179.78 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 20.6 p-10 -171.73 61.14 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.75 0.31 . . . . 0.0 111.329 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 7.5 p -139.16 -50.53 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.297 179.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 42.87 -162.16 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.963 0.411 . . . . 0.0 111.757 179.553 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 1.8 tp -160.0 -43.13 0.05 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.747 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 175' ' ' LEU . . . . . 0.408 HD11 ' NH2' ' A' ' 12' ' ' ARG . 0.4 OUTLIER -81.04 56.85 2.92 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.058 -179.913 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.371 -1.238 . . . . 0.0 112.493 179.895 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 500' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 501' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 502' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 9.4 t . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.799 0.333 . . . . 0.0 111.132 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -62.19 146.31 51.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.808 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 68.88 112.24 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.334 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 3.4 mt -79.82 -26.79 12.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.005 179.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.92 -39.27 93.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.87 -179.463 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 m -59.71 -47.71 84.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.845 0.355 . . . . 0.0 111.093 -179.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -56.76 -50.34 72.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.483 -179.533 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.408 ' CB ' ' CE2' ' A' ' 165' ' ' PHE . 0.4 OUTLIER -63.42 -46.27 87.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.612 -179.085 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.7 mt -75.35 -36.19 61.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.791 0.329 . . . . 0.0 111.28 -178.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.2 -45.94 89.75 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.757 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.417 ' O ' ' N ' ' A' ' 15' ' ' ARG . 1.5 mmpt? -66.86 -44.85 79.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.5 mmt180 -47.79 -33.84 7.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.21 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -73.95 -61.63 1.78 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.409 -179.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.09 -15.08 63.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.143 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.417 ' N ' ' O ' ' A' ' 11' ' ' LYS . 14.4 ttt85 -74.2 -17.04 60.95 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 111.651 0.241 . . . . 0.0 111.651 -179.374 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 53.1 m95 -109.0 -96.73 0.39 Allowed 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.848 -0.341 . . . . 0.0 111.798 -179.362 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 43.8 82.87 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 121.003 0.43 . . . . 0.0 110.864 -179.267 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.478 ' CZ ' ' HB3' ' A' ' 31' ' ' LYS . 0.2 OUTLIER -55.47 -52.68 62.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.822 -0.626 . . . . 0.0 112.076 -178.712 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.419 ' OD1' ' N ' ' A' ' 19' ' ' ASP . 20.4 p-10 -97.55 -12.61 22.35 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 111.805 0.298 . . . . 0.0 111.805 -179.296 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.26 44.06 18.78 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.497 -0.859 . . . . 0.0 112.366 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -92.29 -8.8 44.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.728 0.264 . . . . 0.0 111.562 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 82.58 20.16 62.46 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.577 -0.82 . . . . 0.0 112.425 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -155.27 177.72 11.03 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.579 0.228 . . . . 0.0 110.599 179.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -115.22 118.28 32.87 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.822 0.344 . . . . 0.0 110.492 179.782 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -115.11 171.06 7.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.097 0.475 . . . . 0.0 110.611 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 23.7 ttp180 -69.15 -34.17 74.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.932 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.63 -18.23 64.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.235 179.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -70.76 -29.63 65.9 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.788 0.327 . . . . 0.0 110.203 179.491 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -76.82 -39.31 51.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.265 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.38 -44.76 93.82 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.493 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.478 ' HB3' ' CZ ' ' A' ' 18' ' ' PHE . 5.4 mttt -64.7 -42.11 95.53 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.938 0.399 . . . . 0.0 110.015 179.468 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -53.4 -59.46 4.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.031 179.366 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -47.23 -49.15 23.74 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.007 0.432 . . . . 0.0 110.915 179.412 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.55 -47.86 84.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.069 179.493 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 4.4 t-80 -56.43 -22.91 34.96 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.648 179.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 58.2 mt -82.95 -55.7 6.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.141 179.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -44.29 -42.56 6.78 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-O 120.847 0.356 . . . . 0.0 111.255 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.11 -39.15 91.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.214 179.517 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.08 -30.77 71.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.064 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.404 ' CE2' ' HB3' ' A' ' 111' ' ' CYS . 0.1 OUTLIER -89.69 3.82 51.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.482 -179.745 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 52.92 65.49 3.33 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.458 -0.877 . . . . 0.0 112.487 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -147.63 91.48 1.96 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.814 0.34 . . . . 0.0 110.358 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 39.43 -160.75 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.863 179.768 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -140.06 -58.26 0.55 Allowed 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 177.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -96.09 24.27 30.8 Favored Glycine 0 N--CA 1.453 -0.21 0 CA-C-N 114.73 -1.123 . . . . 0.0 112.254 179.496 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.77 -173.59 0.48 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 117.151 0.476 . . . . 0.0 110.815 179.465 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -76.6 -51.38 11.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.046 0.451 . . . . 0.0 110.431 179.321 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -50.46 -39.07 46.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.801 -0.636 . . . . 0.0 112.312 -178.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 17.9 t -75.79 -37.98 36.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 C-N-CA 120.965 -0.294 . . . . 0.0 111.218 -179.097 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 17.8 tt0 -60.2 -42.58 95.42 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 178.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 24.9 m -57.03 -57.52 12.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.294 179.444 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 38.3 tp -50.56 -57.25 8.59 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.994 -0.282 . . . . 0.0 110.241 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 26.5 mtpp -50.42 -41.51 52.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.677 0.275 . . . . 0.0 110.484 179.294 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -58.69 -43.48 90.03 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 179.362 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.43 ' CB ' ' O ' ' A' ' 102' ' ' PRO . . . -67.58 -50.88 56.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.729 179.334 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -51.26 -30.67 18.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.533 179.722 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -62.25 -50.51 64.34 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.173 179.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -64.31 -27.8 72.12 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.016 179.675 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 22.7 tp -57.11 -45.0 83.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.776 0.322 . . . . 0.0 110.461 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.403 ' O ' ' HB2' ' A' ' 63' ' ' LEU . 53.8 t80 -62.2 -39.94 94.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.949 0.404 . . . . 0.0 109.981 179.097 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -42.18 -48.16 4.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.486 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 73.9 t80 -58.18 -37.47 74.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.118 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.403 ' HB2' ' O ' ' A' ' 60' ' ' PHE . 13.2 mt -64.64 -54.29 34.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.972 179.665 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.451 ' HA ' ' CG2' ' A' ' 69' ' ' VAL . . . -54.85 -44.4 73.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.861 0.363 . . . . 0.0 111.179 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.1 tptt -66.43 -55.15 17.08 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.023 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -60.09 -41.88 93.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.069 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -76.78 -26.21 54.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.623 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 75.86 61.93 2.77 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.943 -0.646 . . . . 0.0 113.651 179.04 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.451 ' CG2' ' HA ' ' A' ' 64' ' ' ALA . 0.0 OUTLIER -119.95 -85.18 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 O-C-N 122.829 -0.218 . . . . 0.0 111.155 179.925 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.544 ' O ' ' CB ' ' A' ' 71' ' ' SER . . . -179.14 -24.99 0.04 OUTLIER Glycine 0 CA--C 1.523 0.588 0 C-N-CA 119.557 -1.306 . . . . 0.0 114.655 -179.647 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.544 ' CB ' ' O ' ' A' ' 70' ' ' GLY . 53.9 p 113.17 -28.13 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 124.241 1.016 . . . . 0.0 109.64 -178.549 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -108.46 9.65 27.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.919 179.28 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -94.94 -160.31 33.85 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.541 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -142.83 156.3 44.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.047 0.451 . . . . 0.0 111.696 -179.443 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 11.9 mt -116.32 138.93 50.92 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.531 179.476 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 2.8 p -87.59 169.06 12.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.789 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -55.35 -48.35 74.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.842 0.353 . . . . 0.0 110.965 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -58.76 -31.74 68.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.695 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 23.3 mm-40 -72.37 -43.61 63.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.945 0.402 . . . . 0.0 110.108 179.318 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -50.46 -58.08 6.57 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.597 179.359 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 50.3 mt -54.61 -49.02 70.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.374 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 7.4 mmm180 -57.16 -52.99 63.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.294 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.422 HG22 ' N ' ' A' ' 84' ' ' THR . 14.4 m -70.93 -43.42 76.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.751 0.31 . . . . 0.0 111.555 -179.625 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.422 ' N ' HG22 ' A' ' 83' ' ' VAL . 96.2 m -61.97 -45.45 93.6 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.056 0.455 . . . . 0.0 110.133 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -52.19 -49.01 64.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.648 -0.706 . . . . 0.0 111.218 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.424 ' O ' ' N ' ' A' ' 90' ' ' GLU . 2.6 m120 -59.87 -39.13 84.24 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.029 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.9 mt -58.9 -44.33 91.21 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.066 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 16.4 mt -71.81 -46.64 60.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.327 -179.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -89.13 -73.33 0.51 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.768 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 86' ' ' ASN . 0.3 OUTLIER -63.51 -167.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.621 179.792 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 39.3 mm-40 71.04 151.1 0.1 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.998 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -85.25 159.41 33.79 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.829 -0.7 . . . . 0.0 113.022 -179.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -56.49 -57.2 13.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.982 0.42 . . . . 0.0 111.003 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.15 -12.27 11.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.911 -0.586 . . . . 0.0 112.444 -179.652 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -73.65 -40.45 63.72 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.736 0.303 . . . . 0.0 111.092 -179.678 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -69.61 -41.86 75.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.011 0.434 . . . . 0.0 110.886 179.759 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.401 ' HA ' HD11 ' A' ' 159' ' ' LEU . 1.5 m120 -67.78 -36.03 79.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.809 -179.75 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 2.4 ttt-85 -63.64 -66.1 0.59 Allowed 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 111.93 0.345 . . . . 0.0 111.93 -179.299 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 9.2 p -66.76 -39.57 83.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 112.726 0.639 . . . . 0.0 112.726 -177.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 5.3 tp -88.25 -25.25 22.95 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.187 -0.605 . . . . 0.0 112.279 -177.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.439 ' N ' ' HD2' ' A' ' 102' ' ' PRO . . . -40.41 -58.34 2.49 Favored Glycine 0 CA--C 1.523 0.569 0 C-N-CA 120.909 -0.663 . . . . 0.0 113.115 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.439 ' HD2' ' N ' ' A' ' 101' ' ' GLY . 39.3 Cg_endo -66.59 -10.75 29.06 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.666 2.244 . . . . 0.0 112.6 179.596 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 45.8 t -79.74 -54.78 10.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.987 -179.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 5.2 p -68.25 -36.95 77.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.616 0.722 . . . . 0.0 110.595 179.561 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.83 -59.26 4.85 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.677 -1.147 . . . . 0.0 111.387 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -45.31 -33.74 4.3 Favored Glycine 0 C--N 1.332 0.334 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.674 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 12.9 mt -77.1 -40.38 30.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 120.787 0.327 . . . . 0.0 111.529 -179.572 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 31.0 t -63.97 -29.05 46.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.691 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -71.46 -30.43 66.79 Favored Glycine 0 CA--C 1.518 0.237 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.926 -179.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 1.5 mtp -78.69 -23.76 45.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.678 0.239 . . . . 0.0 111.275 -179.287 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . 0.404 ' HB3' ' CE2' ' A' ' 40' ' ' PHE . 19.0 p -101.04 -20.27 15.45 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 113.181 0.808 . . . . 0.0 113.181 -178.228 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.03 104.16 0.44 Allowed 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.327 -0.549 . . . . 0.0 110.807 -178.683 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.74 -20.65 25.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.03 179.307 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 53.9 p30 -107.03 2.72 25.26 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.434 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . 43.09 65.28 0.99 Allowed 'General case' 0 N--CA 1.461 0.101 0 N-CA-C 111.789 0.292 . . . . 0.0 111.789 179.555 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 55.4 p30 -123.9 -8.77 7.78 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.667 179.44 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 79.45 8.54 87.69 Favored Glycine 0 C--N 1.333 0.395 0 C-N-CA 120.785 -0.721 . . . . 0.0 113.116 179.582 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -121.96 167.18 13.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.977 0.417 . . . . 0.0 111.545 -179.585 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.401 ' O ' ' HB2' ' A' ' 153' ' ' LEU . 42.1 mm -111.0 100.24 10.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.196 -179.434 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . 0.432 ' O ' ' N ' ' A' ' 123' ' ' GLU . 18.4 p30 -87.63 156.58 19.41 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 178.848 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -44.7 -36.41 3.13 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 111.852 0.316 . . . . 0.0 111.852 -178.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -71.47 -30.84 66.47 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.626 0.25 . . . . 0.0 110.365 179.324 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 120' ' ' ASN . 49.0 mt-10 -77.66 -48.92 15.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.264 179.028 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -56.57 -50.88 70.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.709 -179.466 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -54.79 -42.89 72.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.4 -179.444 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -54.89 -31.97 60.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.993 -179.436 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 12.2 t90 -88.73 -36.63 16.04 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 111.696 0.258 . . . . 0.0 111.696 -178.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.9 -41.61 98.1 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.965 0.412 . . . . 0.0 110.537 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' THR . . . . . 0.406 ' HA ' ' O ' ' A' ' 133' ' ' MET . 73.0 p -71.77 -24.11 61.7 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.904 178.687 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -66.47 -38.41 87.25 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.399 179.68 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 18.1 mt -85.91 -2.72 58.54 Favored 'General case' 0 N--CA 1.463 0.188 0 N-CA-C 112.645 0.609 . . . . 0.0 112.645 -178.221 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 108.95 25.35 5.67 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 119.92 -1.133 . . . . 0.0 113.57 179.177 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' MET . . . . . 0.406 ' O ' ' HA ' ' A' ' 129' ' ' THR . 1.7 mmt -102.14 152.98 20.36 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 117.062 0.431 . . . . 0.0 109.954 179.123 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -82.21 160.75 22.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.845 0.355 . . . . 0.0 111.092 -179.773 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.04 -28.74 69.81 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.557 -179.384 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -74.1 -23.88 59.38 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.114 179.65 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -74.74 -41.46 60.08 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.586 -179.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -59.18 -58.02 10.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.825 0.345 . . . . 0.0 110.967 -179.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -49.39 -43.29 44.13 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.111 179.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.67 -48.78 58.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.389 -179.491 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . 0.429 ' HA ' ' HG2' ' A' ' 144' ' ' GLN . . . -64.66 -34.13 77.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.762 -179.228 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -58.57 -59.71 4.96 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.21 0.529 . . . . 0.0 110.8 179.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -56.8 -35.3 68.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.445 -0.798 . . . . 0.0 112.987 -178.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' GLN . . . . . 0.429 ' HG2' ' HA ' ' A' ' 141' ' ' ALA . 6.8 pt20 -69.2 -28.59 66.51 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 111.846 0.313 . . . . 0.0 111.846 -178.764 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . 0.449 ' O ' ' N ' ' A' ' 147' ' ' THR . 33.5 t -84.09 -32.73 8.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -178.631 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.89 78.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.154 0.502 . . . . 0.0 111.297 -179.321 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' THR . . . . . 0.449 ' N ' ' O ' ' A' ' 145' ' ' VAL . 33.3 m -57.5 -35.25 69.97 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.51 -0.768 . . . . 0.0 112.336 179.764 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 25.6 p-10 -95.19 4.99 53.0 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.231 0.456 . . . . 0.0 112.231 -178.283 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 40.78 38.39 1.58 Allowed Glycine 0 C--N 1.334 0.46 0 C-N-CA 121.052 -0.594 . . . . 0.0 113.275 179.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 31.5 p-10 -94.45 -6.59 43.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.546 0.212 . . . . 0.0 111.472 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 89.31 4.09 74.53 Favored Glycine 0 C--N 1.333 0.416 0 C-N-CA 120.761 -0.733 . . . . 0.0 113.501 178.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 83.7 mt-10 -134.59 135.54 42.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 117.344 0.572 . . . . 0.0 111.143 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . 0.401 ' HB2' ' O ' ' A' ' 119' ' ' ILE . 36.0 mt -103.41 102.65 12.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.921 178.755 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.76 168.47 12.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.982 0.42 . . . . 0.0 111.594 -179.138 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 155' ' ' LEU . . . . . 0.427 ' O ' ' HG ' ' A' ' 159' ' ' LEU . 0.6 OUTLIER -48.08 -43.72 30.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.916 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -56.18 -55.75 29.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.627 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -62.75 -19.85 64.37 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.016 -0.538 . . . . 0.0 112.222 -178.67 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 5.6 mt -76.29 -62.52 1.58 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.797 179.059 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . 0.427 ' HG ' ' O ' ' A' ' 155' ' ' LEU . 0.9 OUTLIER -43.55 -53.09 5.84 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.427 -179.127 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 160' ' ' THR . . . . . 0.418 ' O ' ' CG ' ' A' ' 163' ' ' ARG . 10.5 t -51.72 -49.14 63.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.943 0.402 . . . . 0.0 110.056 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -62.44 -49.57 74.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.97 178.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 75.8 t -54.62 -21.53 7.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.513 179.535 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 163' ' ' ARG . . . . . 0.418 ' CG ' ' O ' ' A' ' 160' ' ' THR . 7.2 ptm180 -42.19 -29.22 0.23 Allowed 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.683 -179.479 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 78.45 155.09 0.15 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.934 0.397 . . . . 0.0 110.842 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 165' ' ' PHE . . . . . 0.408 ' CE2' ' CB ' ' A' ' 8' ' ' ARG . 0.3 OUTLIER -58.52 -157.27 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.961 -179.904 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . 0.464 ' O ' ' CD1' ' A' ' 167' ' ' PHE . 15.8 p-80 -168.41 -42.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.09 179.732 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 167' ' ' PHE . . . . . 0.464 ' CD1' ' O ' ' A' ' 166' ' ' HIS . 70.0 m-85 -154.93 69.57 0.73 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.299 179.456 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . 52.77 60.26 8.18 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.661 -0.781 . . . . 0.0 111.941 -179.458 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 169' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -102.76 -77.81 0.55 Allowed 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 111.638 0.236 . . . . 0.0 111.638 -179.319 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 6.8 tp -121.47 171.15 9.0 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.907 0.384 . . . . 0.0 111.36 -179.372 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 59.8 m-20 -94.12 -4.64 48.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.82 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 86.5 t -45.82 -80.49 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.529 0.158 0 CA-C-O 120.596 0.236 . . . . 0.0 111.444 -179.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 50.02 179.97 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.829 0.347 . . . . 0.0 110.944 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -172.68 -68.57 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.004 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 175' ' ' LEU . . . . . . . . . . . . . 1.7 mm? 48.74 55.96 8.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.039 0.447 . . . . 0.0 110.933 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.992 0 CA-C-O 118.405 -1.219 . . . . 0.0 112.501 179.9 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 500' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 501' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 502' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' THR . . . . . 0.404 ' O ' ' N ' ' A' ' 3' ' ' ALA . 0.1 OUTLIER . . . . . 0 N--CA 1.484 1.245 0 CA-C-O 120.656 0.265 . . . . 0.0 110.884 . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 67.37 -67.48 0.17 Allowed 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.529 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.404 ' N ' ' O ' ' A' ' 1' ' ' THR . . . -50.33 112.61 0.71 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.04 179.484 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 27.3 mm -78.29 -28.97 15.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.106 0.479 . . . . 0.0 110.889 179.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.39 -37.14 86.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.772 -179.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.1 t -58.08 -57.67 11.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.34 -179.534 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -49.07 -49.76 40.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.843 -179.614 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.79 -46.28 91.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.712 -178.733 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.426 HD23 HG23 ' A' ' 84' ' ' THR . 2.5 mt -77.21 -30.38 54.64 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 111.952 0.353 . . . . 0.0 111.952 -178.754 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.77 -47.11 87.78 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.665 0.269 . . . . 0.0 111.454 -179.394 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.1 mttp -65.2 -46.47 80.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.793 -179.629 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.38 -26.26 1.99 Allowed 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 121.016 0.436 . . . . 0.0 110.833 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 43.1 t80 -71.43 -65.75 0.71 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.806 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -70.18 -21.15 63.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.214 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -73.57 -15.23 61.29 Favored 'General case' 0 N--CA 1.465 0.275 0 N-CA-C 111.737 0.273 . . . . 0.0 111.737 -179.713 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 11.6 m95 -115.65 18.08 15.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.77 0.319 . . . . 0.0 110.975 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.71 82.15 5.86 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-O 121.088 0.47 . . . . 0.0 110.71 179.593 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.444 ' CZ ' ' HB3' ' A' ' 31' ' ' LYS . 0.2 OUTLIER -53.11 -50.66 64.01 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.456 -179.308 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.441 ' OD1' ' N ' ' A' ' 19' ' ' ASP . 3.4 p30 -99.65 -12.82 19.7 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 111.922 0.342 . . . . 0.0 111.922 -179.528 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 74.15 45.95 23.51 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.229 -0.986 . . . . 0.0 112.098 -179.51 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 18.1 p-10 -92.73 -9.66 39.87 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 111.694 0.257 . . . . 0.0 111.694 -179.663 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 83.85 21.44 57.6 Favored Glycine 0 C--N 1.332 0.316 0 C-N-CA 120.472 -0.87 . . . . 0.0 112.933 179.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -157.13 179.72 9.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.61 0.243 . . . . 0.0 110.705 179.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.2 mt -118.32 119.73 35.51 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.803 0.335 . . . . 0.0 110.603 179.245 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -116.32 170.25 8.68 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.995 0.426 . . . . 0.0 110.373 179.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -69.34 -37.96 77.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.57 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.05 -19.92 35.2 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.13 179.632 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -72.03 -27.03 62.44 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.498 179.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -76.82 -39.44 51.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.805 0.336 . . . . 0.0 110.727 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -63.5 -40.78 97.98 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.369 179.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.444 ' HB3' ' CZ ' ' A' ' 18' ' ' PHE . 0.0 OUTLIER -67.01 -45.46 77.47 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.939 0.4 . . . . 0.0 110.044 179.33 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.408 ' O ' HG13 ' A' ' 36' ' ' ILE . 0.9 OUTLIER -51.8 -59.47 4.27 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 178.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -43.47 -50.85 6.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.082 178.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -62.97 -49.68 73.76 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.457 179.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -54.95 -23.92 21.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.538 179.797 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.408 HG13 ' O ' ' A' ' 32' ' ' GLU . 75.6 mt -83.5 -53.79 10.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.663 179.701 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -45.54 -42.27 10.71 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.884 0.373 . . . . 0.0 111.449 179.53 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -61.54 -39.35 90.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.149 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -58.25 -24.25 58.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.809 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 -92.47 3.72 54.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.466 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 67.41 11.75 60.01 Favored Glycine 0 C--N 1.333 0.371 0 C-N-CA 120.864 -0.684 . . . . 0.0 113.087 179.615 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -89.1 162.61 15.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.862 0.331 . . . . 0.0 110.61 179.723 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -72.63 131.15 42.06 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.284 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.32 -14.74 63.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.246 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -103.65 14.47 53.53 Favored Glycine 0 C--N 1.332 0.326 0 C-N-CA 120.518 -0.849 . . . . 0.0 113.415 -179.277 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.402 ' O ' ' HG3' ' A' ' 50' ' ' GLN . . . -71.03 -168.41 0.28 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.765 0.316 . . . . 0.0 110.827 179.135 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -91.55 -46.7 7.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.673 179.438 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.403 ' HG2' ' HG3' ' A' ' 110' ' ' MET . 0.0 OUTLIER -60.08 -27.34 66.91 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.039 -0.528 . . . . 0.0 112.135 -179.149 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 1.6 t -77.05 -41.88 31.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 C-N-CA 120.704 -0.398 . . . . 0.0 110.162 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.402 ' HG3' ' O ' ' A' ' 46' ' ' ALA . 0.3 OUTLIER -61.54 -41.52 97.46 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 178.788 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 95.0 m -56.87 -58.07 9.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.374 179.302 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 11.0 tp -49.79 -58.73 4.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.419 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -49.94 -40.89 45.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.714 0.292 . . . . 0.0 110.422 179.557 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -56.56 -42.73 79.05 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.652 179.643 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.71 -53.56 17.92 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.019 0.438 . . . . 0.0 110.674 179.074 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -47.77 -31.54 4.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.927 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -63.7 -50.41 61.72 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.368 179.534 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -61.23 -28.78 69.74 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.978 -0.629 . . . . 0.0 112.775 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -58.97 -40.44 84.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.596 0.198 . . . . 0.0 111.213 -179.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -59.88 -39.24 84.65 Favored 'General case' 0 C--N 1.333 -0.11 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 179.038 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -42.55 -44.8 4.29 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 121.14 0.495 . . . . 0.0 110.942 179.18 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.468 ' CE2' ' OE2' ' A' ' 66' ' ' GLU . 40.3 t80 -59.93 -38.66 83.05 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.952 179.788 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 33.0 mt -65.81 -58.31 5.91 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.344 -179.463 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.408 ' O ' ' N ' ' A' ' 68' ' ' GLY . . . -55.74 -43.72 76.9 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.675 0.274 . . . . 0.0 111.46 -179.489 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.35 -56.64 10.13 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.17 0.509 . . . . 0.0 110.741 179.747 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.468 ' OE2' ' CE2' ' A' ' 62' ' ' TYR . 0.5 OUTLIER -60.5 -42.5 96.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.546 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -75.31 -27.82 59.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.04 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 64' ' ' ALA . . . 78.01 51.89 5.59 Favored Glycine 0 N--CA 1.45 -0.384 0 CA-C-N 115.71 -0.677 . . . . 0.0 113.261 179.106 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 49.1 t -122.59 -79.29 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.561 0.22 . . . . 0.0 111.298 -179.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 164.71 159.98 11.76 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.57 -0.824 . . . . 0.0 112.37 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.83 -20.35 63.56 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.6 0.238 . . . . 0.0 111.077 179.072 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -115.02 12.04 16.62 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.74 -179.726 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -94.58 -165.2 35.98 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.297 -0.954 . . . . 0.0 113.102 -179.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -142.22 154.69 44.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.953 0.406 . . . . 0.0 111.199 -179.521 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -116.79 138.82 51.22 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.711 178.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 15.7 p -83.16 -170.87 3.25 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.731 0.301 . . . . 0.0 110.861 -179.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -75.82 -52.79 9.62 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.097 0.475 . . . . 0.0 110.699 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -56.31 -31.86 64.09 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.793 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 2.4 mm100 -71.61 -46.07 60.26 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.014 0.435 . . . . 0.0 110.689 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 24.6 t80 -50.64 -54.76 20.36 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.069 179.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 5.5 mt -54.85 -57.4 6.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.58 -0.736 . . . . 0.0 112.027 -179.463 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -52.25 -53.39 44.46 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.821 0.343 . . . . 0.0 111.197 -179.119 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 4.2 t -67.82 -43.42 86.2 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.226 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.43 -179.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.426 HG23 HD23 ' A' ' 9' ' ' LEU . 97.3 m -61.59 -43.48 98.78 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 179.759 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -47.84 -50.13 27.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.014 179.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -61.15 -35.75 77.92 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.044 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.72 -49.18 78.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.953 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.413 HD13 ' O ' ' A' ' 163' ' ' ARG . 21.5 mm -75.04 -36.86 39.52 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-O 120.902 0.382 . . . . 0.0 111.091 179.563 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -88.9 -83.36 0.23 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.213 179.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.406 ' O ' ' HB2' ' A' ' 91' ' ' GLN . 0.0 OUTLIER -61.0 -155.67 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.504 179.656 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.406 ' HB2' ' O ' ' A' ' 90' ' ' GLU . 71.5 mm-40 66.83 150.94 0.06 Allowed 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.528 -179.774 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -85.77 155.07 28.76 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.613 -0.803 . . . . 0.0 113.636 -178.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -51.77 -57.19 9.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.207 0.527 . . . . 0.0 110.207 179.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.83 -12.76 18.96 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.92 179.519 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.5 t -72.42 -42.33 65.24 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.864 0.364 . . . . 0.0 110.61 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -67.62 -44.32 78.29 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.92 179.501 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -67.32 -38.8 85.52 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.437 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 37.1 mtt180 -63.58 -61.69 2.16 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.585 -179.148 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 9.3 p -71.26 -39.38 72.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 N-CA-C 112.472 0.545 . . . . 0.0 112.472 -177.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 2.6 tp -85.9 -26.32 25.66 Favored 'General case' 0 C--N 1.32 -0.706 0 C-N-CA 119.923 -0.711 . . . . 0.0 111.575 -177.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.429 ' N ' ' HD2' ' A' ' 102' ' ' PRO . . . -40.32 -56.98 2.74 Favored Glycine 0 CA--C 1.522 0.521 0 C-N-CA 120.999 -0.619 . . . . 0.0 112.818 179.354 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.429 ' HD2' ' N ' ' A' ' 101' ' ' GLY . 60.0 Cg_endo -69.18 -11.46 31.65 Favored 'Trans proline' 0 CA--C 1.53 0.3 0 C-N-CA 122.549 2.166 . . . . 0.0 112.72 179.594 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 89.7 t -79.66 -54.9 10.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.793 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 94.0 t -68.19 -32.52 56.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 121.158 0.504 . . . . 0.0 110.239 178.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.421 ' HG3' ' O ' ' A' ' 101' ' ' GLY . 9.6 mttm -55.31 -52.28 63.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.58 179.414 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -48.96 -37.36 22.19 Favored Glycine 0 N--CA 1.451 -0.363 0 CA-C-N 115.872 -0.604 . . . . 0.0 112.569 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.441 HG22 ' CZ2' ' A' ' 127' ' ' TRP . 18.7 mm -72.64 -39.11 60.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.714 0.292 . . . . 0.0 110.98 179.641 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.415 ' O ' ' N ' ' A' ' 112' ' ' ASP . 12.8 t -64.79 -36.85 78.65 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.228 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -63.19 -38.35 96.37 Favored Glycine 0 C--N 1.33 0.234 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.871 -179.395 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' MET . . . . . 0.403 ' HG3' ' HG2' ' A' ' 48' ' ' GLU . 45.9 mtp -78.53 -24.56 45.65 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.649 0.261 . . . . 0.0 110.654 -179.799 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 42.2 t -98.31 -25.02 14.98 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 113.104 0.779 . . . . 0.0 113.104 -178.053 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . 0.415 ' N ' ' O ' ' A' ' 108' ' ' VAL . 21.7 m-20 -61.35 103.37 0.3 Allowed 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.274 -0.57 . . . . 0.0 110.853 -177.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.09 -20.92 26.41 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.978 179.516 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 20.0 p30 -106.56 -2.0 22.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.517 -0.311 . . . . 0.0 111.317 179.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . 49.51 57.24 6.72 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 111.679 0.251 . . . . 0.0 111.679 179.603 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 38.6 p-10 -116.25 -7.91 11.75 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.965 -0.294 . . . . 0.0 111.36 178.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 79.29 9.64 86.79 Favored Glycine 0 C--N 1.336 0.574 0 C-N-CA 120.861 -0.685 . . . . 0.0 113.159 179.401 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 30.6 mt-30 -124.2 168.65 12.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.891 0.376 . . . . 0.0 111.16 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 27.9 mm -108.5 100.88 11.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.819 -179.396 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -83.51 159.95 21.59 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 179.193 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -52.13 -37.53 54.61 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.92 -0.312 . . . . 0.0 111.197 -178.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -72.16 -23.47 61.29 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 178.631 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -83.12 -49.87 9.05 Favored 'General case' 0 C--O 1.232 0.159 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 178.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -56.29 -49.75 73.35 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.792 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . 0.402 ' HA ' ' HB3' ' A' ' 138' ' ' ALA . . . -57.55 -43.59 84.56 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.092 179.784 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -57.85 -37.12 73.31 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.933 -179.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' TRP . . . . . 0.441 ' CZ2' HG22 ' A' ' 107' ' ' ILE . 13.3 t90 -82.51 -42.31 18.58 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 111.816 0.302 . . . . 0.0 111.816 -178.66 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.419 ' CD1' ' HA ' ' A' ' 138' ' ' ALA . 31.8 mt -59.18 -38.32 79.52 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.935 0.398 . . . . 0.0 110.548 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 49.9 p -70.32 -24.85 63.07 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.113 179.467 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -66.57 -37.99 86.12 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.739 179.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 31.5 mt -84.15 1.63 43.45 Favored 'General case' 0 N--CA 1.463 0.198 0 N-CA-C 112.908 0.707 . . . . 0.0 112.908 -177.511 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 105.12 19.95 10.23 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 119.924 -1.131 . . . . 0.0 113.681 178.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' MET . . . . . . . . . . . . . 4.8 mmt -96.87 155.89 16.58 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 178.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.56 172.12 14.16 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.092 0.472 . . . . 0.0 111.737 -179.015 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 4.4 mttm -77.63 -26.74 50.78 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.856 -179.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -81.13 -29.69 34.71 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 111.896 0.332 . . . . 0.0 111.896 -179.542 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.26 -38.62 71.86 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.397 -179.419 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . 0.419 ' HA ' ' CD1' ' A' ' 128' ' ' LEU . . . -59.73 -54.57 44.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.819 0.342 . . . . 0.0 110.617 -179.817 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -47.32 -44.16 23.4 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.953 179.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -70.88 -44.66 65.85 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.149 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -63.83 -39.94 95.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.841 -0.618 . . . . 0.0 112.025 -179.134 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' PHE . . . . . 0.457 ' CE1' ' HG ' ' A' ' 153' ' ' LEU . 76.0 t80 -54.59 -58.37 7.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.919 0.39 . . . . 0.0 110.655 179.437 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -56.56 -33.69 66.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.823 -179.69 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -65.55 -36.96 85.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.056 -0.52 . . . . 0.0 112.284 -178.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . 0.491 ' O ' ' N ' ' A' ' 147' ' ' THR . 33.3 t -82.57 -28.74 8.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -178.129 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -61.26 77.79 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.266 0 CA-C-O 121.325 0.583 . . . . 0.0 111.022 -179.276 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' THR . . . . . 0.491 ' N ' ' O ' ' A' ' 145' ' ' VAL . 90.0 m -56.39 -38.16 71.1 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.346 -0.843 . . . . 0.0 112.368 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 54.3 p30 -92.66 6.72 46.37 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.805 -178.584 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 39.0 36.43 0.49 Allowed Glycine 0 C--N 1.336 0.552 0 C-N-CA 121.317 -0.468 . . . . 0.0 113.643 179.242 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 48.2 p-10 -93.63 -4.36 50.88 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.638 0.256 . . . . 0.0 111.337 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 89.65 3.0 75.02 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.51 -0.852 . . . . 0.0 113.268 179.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -132.39 133.57 44.08 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 117.471 0.635 . . . . 0.0 110.225 179.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . 0.457 ' HG ' ' CE1' ' A' ' 142' ' ' PHE . 24.8 mt -98.22 105.53 17.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.601 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 3.8 t -91.06 163.19 14.39 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.312 0.577 . . . . 0.0 112.514 -178.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 155' ' ' LEU . . . . . 0.402 ' HA ' HD11 ' A' ' 158' ' ' LEU . 0.2 OUTLIER -48.88 -43.38 38.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.179 -0.919 . . . . 0.0 111.361 179.768 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -56.67 -59.53 4.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.347 -179.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -64.05 -18.05 63.97 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.983 -179.068 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . 0.402 HD11 ' HA ' ' A' ' 155' ' ' LEU . 0.2 OUTLIER -70.56 -53.71 14.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.028 179.79 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.02 -40.41 89.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.017 -179.38 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 99.9 m -51.83 -60.24 3.4 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.079 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -60.49 -53.52 56.5 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 179.519 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 162' ' ' VAL . . . . . 0.407 HG12 ' HB3' ' A' ' 174' ' ' LEU . 72.6 t -55.87 -37.47 47.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.917 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 163' ' ' ARG . . . . . 0.413 ' O ' HD13 ' A' ' 88' ' ' ILE . 13.1 ttp180 -42.21 -81.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.729 -178.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . 0.438 ' HB3' ' CG ' ' A' ' 169' ' ' ARG . 0.7 OUTLIER -80.37 155.4 27.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.101 0.477 . . . . 0.0 111.657 -179.62 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 165' ' ' PHE . . . . . 0.446 ' CE1' ' CE1' ' A' ' 166' ' ' HIS . 39.3 p90 176.59 34.55 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.988 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . 0.446 ' CE1' ' CE1' ' A' ' 165' ' ' PHE . 43.8 m-70 -112.91 -60.52 1.87 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.769 -179.604 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 167' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -83.84 11.08 8.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.298 179.367 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . 105.39 87.97 2.02 Favored Glycine 0 C--N 1.337 0.62 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.393 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 169' ' ' ARG . . . . . 0.438 ' CG ' ' HB3' ' A' ' 164' ' ' ASP . 0.0 OUTLIER -110.39 -50.96 2.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.782 0.325 . . . . 0.0 111.473 -179.578 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 3.6 tp 179.85 179.51 0.52 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.209 -0.45 . . . . 0.0 109.937 -179.13 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -80.74 0.15 35.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.673 0.273 . . . . 0.0 111.33 179.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 62.7 t -70.34 -80.96 0.03 OUTLIER 'Isoleucine or valine' 0 C--O 1.233 0.191 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.322 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 47.73 56.75 6.73 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.849 0.357 . . . . 0.0 110.934 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 174' ' ' LEU . . . . . 0.407 ' HB3' HG12 ' A' ' 162' ' ' VAL . 4.1 tt -91.01 147.82 22.82 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.57 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 175' ' ' LEU . . . . . . . . . . . . . 1.2 tt 177.47 74.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.336 179.663 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.093 0 CA-C-O 118.217 -1.324 . . . . 0.0 112.14 179.555 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 500' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 501' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 502' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.709 0.29 . . . . 0.0 111.005 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.0 p -57.62 142.96 43.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.981 0.419 . . . . 0.0 111.059 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -75.58 -3.43 34.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.663 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 13.1 mt -79.71 -25.98 12.32 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-O 121.033 0.444 . . . . 0.0 111.037 179.682 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.62 -38.12 89.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.796 -0.638 . . . . 0.0 112.253 -179.258 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.6 m -60.94 -56.0 26.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.741 0.305 . . . . 0.0 111.109 -179.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.94 -49.92 37.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.495 -179.509 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.26 -43.27 99.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.436 -179.044 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.45 HD22 ' CE1' ' A' ' 166' ' ' HIS . 0.5 OUTLIER -77.34 -32.91 55.5 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 111.872 0.323 . . . . 0.0 111.872 -178.878 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.68 -63.72 1.17 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.928 0.394 . . . . 0.0 111.081 -179.796 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.417 ' O ' ' N ' ' A' ' 15' ' ' ARG . 0.2 OUTLIER -50.17 -47.49 54.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.218 -179.646 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.29 -29.78 4.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.785 0.326 . . . . 0.0 111.337 -179.745 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -73.12 -63.85 1.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.708 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 -68.82 -12.6 61.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.092 179.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.417 ' N ' ' O ' ' A' ' 11' ' ' LYS . 0.1 OUTLIER -71.4 -18.22 62.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.566 0.222 . . . . 0.0 111.178 -179.537 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.442 ' CZ2' ' HA3' ' A' ' 176' ' ' GLY . 3.0 m95 -103.75 -91.66 0.36 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.647 -0.251 . . . . 0.0 111.095 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 41.68 75.84 0.08 Allowed 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 121.084 0.468 . . . . 0.0 111.465 -179.784 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.477 ' CE1' ' HB3' ' A' ' 31' ' ' LYS . 1.2 m-85 -54.46 -50.87 66.68 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.557 -179.05 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 22.3 p-10 -98.5 -12.3 21.41 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 -179.285 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 78.09 40.27 21.13 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.444 -0.884 . . . . 0.0 112.554 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.406 ' OD1' ' N ' ' A' ' 21' ' ' ASN . 9.0 p-10 -89.66 -12.39 39.72 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.723 0.261 . . . . 0.0 111.387 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 84.17 22.32 54.95 Favored Glycine 0 C--N 1.332 0.348 0 C-N-CA 120.627 -0.797 . . . . 0.0 112.687 179.529 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -155.37 178.92 9.67 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.713 0.292 . . . . 0.0 110.403 179.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 12.7 tp -117.44 128.12 54.69 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.66 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 71.9 mt-10 -126.89 172.79 10.12 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.367 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.81 -33.42 74.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.806 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.01 -21.29 66.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.948 179.442 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.16 -28.99 63.59 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.088 179.465 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -78.59 -36.14 44.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.339 179.514 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -66.33 -38.74 88.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.663 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.477 ' HB3' ' CE1' ' A' ' 18' ' ' PHE . 4.9 mttm -67.44 -43.62 80.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.907 0.384 . . . . 0.0 110.544 179.656 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.404 ' O ' HG13 ' A' ' 36' ' ' ILE . 2.9 tt0 -49.06 -64.92 0.67 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.138 179.744 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -43.6 -46.55 7.25 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.202 0.525 . . . . 0.0 110.858 179.082 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -64.24 -54.79 27.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.786 179.615 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -52.51 -34.36 49.32 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.791 0.329 . . . . 0.0 110.518 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.404 HG13 ' O ' ' A' ' 32' ' ' GLU . 84.3 mt -71.14 -55.51 13.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.576 179.358 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -42.56 -42.23 3.3 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.725 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -58.6 -40.9 84.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.553 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -57.04 -21.47 31.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.397 -179.542 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.405 ' CZ ' ' HA ' ' A' ' 127' ' ' TRP . 26.3 m-85 -92.63 1.8 57.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.68 -0.236 . . . . 0.0 111.375 179.651 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 53.54 19.64 9.77 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.826 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.7 tttt -92.55 -152.52 0.32 Allowed 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 179.564 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.423 ' HB2' ' HB1' ' A' ' 46' ' ' ALA . 8.3 m-20 -69.18 -166.97 0.1 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.074 0.464 . . . . 0.0 111.886 -178.578 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.403 ' O ' HG13 ' A' ' 49' ' ' VAL . . . -140.21 -59.25 0.54 Allowed 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 178.386 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -92.87 27.04 11.78 Favored Glycine 0 N--CA 1.45 -0.404 0 CA-C-N 114.905 -1.043 . . . . 0.0 111.969 179.54 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.423 ' HB1' ' HB2' ' A' ' 43' ' ' ASP . . . -68.25 -166.15 0.06 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.828 0.347 . . . . 0.0 110.943 179.092 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -89.52 -47.99 7.61 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.034 179.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -57.5 -28.33 63.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.447 -179.129 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.403 HG13 ' O ' ' A' ' 44' ' ' ALA . 7.3 p -77.32 -42.24 30.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.691 179.732 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.401 ' O ' ' HB2' ' A' ' 54' ' ' ASN . 1.0 OUTLIER -61.4 -42.91 99.47 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 178.713 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 15.7 m -58.57 -54.99 40.86 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.947 -0.569 . . . . 0.0 109.746 178.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 11.2 tp -50.8 -62.49 1.57 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.192 179.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.48 -42.0 61.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.716 179.52 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.401 ' HB2' ' O ' ' A' ' 50' ' ' GLN . 6.5 t-20 -56.39 -41.4 76.22 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.925 0.393 . . . . 0.0 110.174 179.808 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.42 -32.51 72.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.046 179.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -67.11 -31.86 72.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.82 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -64.75 -48.06 76.49 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.185 179.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -58.69 -34.96 79.25 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.623 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.9 tp -56.28 -32.34 64.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.892 0.377 . . . . 0.0 110.023 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -63.02 -44.76 95.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.398 179.167 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -43.16 -50.62 6.26 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.525 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -58.35 -41.34 84.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.12 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.415 HD21 HD23 ' A' ' 75' ' ' LEU . 23.3 mt -64.8 -57.57 8.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.188 -179.413 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -54.18 -45.44 72.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.574 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 9.9 tttp -65.72 -51.72 56.99 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.856 0.36 . . . . 0.0 110.969 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -62.53 -40.61 97.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.112 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -77.13 -26.82 53.56 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.804 0.335 . . . . 0.0 111.601 -179.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 103.62 0.24 46.21 Favored Glycine 0 CA--C 1.52 0.35 0 C-N-CA 120.525 -0.845 . . . . 0.0 114.154 178.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 26.9 m -101.44 174.09 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 117.277 0.538 . . . . 0.0 110.067 179.345 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -86.73 179.27 48.87 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.689 -0.767 . . . . 0.0 113.845 -178.479 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 16.2 m -65.12 -13.07 57.18 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.249 -0.476 . . . . 0.0 110.962 178.158 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -113.02 12.58 19.27 Favored 'General case' 0 N--CA 1.462 0.146 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 -179.401 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -93.21 -164.53 37.49 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.344 -0.931 . . . . 0.0 112.307 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -141.58 154.41 45.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.155 0.502 . . . . 0.0 111.804 -179.232 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.457 HD11 ' N ' ' A' ' 75' ' ' LEU . 3.4 mp -116.04 138.74 50.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.357 179.559 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 6.7 p -86.65 -173.82 4.68 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.676 179.64 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -72.65 -48.74 36.81 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.991 0.424 . . . . 0.0 110.742 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -58.04 -32.77 68.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.878 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -72.46 -43.12 64.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.978 0.418 . . . . 0.0 110.255 179.389 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -49.96 -55.7 13.55 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.727 179.479 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 71.9 mt -54.54 -52.13 43.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.312 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.15 -55.32 32.53 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.011 -0.541 . . . . 0.0 112.007 -178.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 11.9 t -71.74 -40.96 70.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 N-CA-C 111.752 0.279 . . . . 0.0 111.752 -179.258 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 94.6 m -62.27 -45.09 94.84 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.937 0.398 . . . . 0.0 110.48 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -50.96 -49.14 60.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.296 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 29.0 m-80 -59.06 -37.54 77.27 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.137 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.9 mt -59.69 -45.46 92.03 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.218 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 16.8 mm -73.11 -42.47 58.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.444 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -89.95 -75.0 0.46 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.775 0.321 . . . . 0.0 111.184 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -64.1 -161.97 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.019 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 71.07 -83.48 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.396 -179.617 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 127.55 172.27 13.21 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.253 -0.975 . . . . 0.0 113.04 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -55.31 -58.84 6.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.124 0.487 . . . . 0.0 111.032 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.415 ' O ' ' HB2' ' A' ' 98' ' ' ARG . . . -59.78 -16.86 31.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.562 -0.745 . . . . 0.0 112.209 -179.326 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 60.5 m -79.63 -44.94 20.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.974 0.416 . . . . 0.0 110.806 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -71.31 -38.79 71.72 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.139 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -68.8 -35.2 76.72 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.9 -0.591 . . . . 0.0 112.016 -179.6 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.415 ' HB2' ' O ' ' A' ' 94' ' ' ALA . 0.3 OUTLIER -63.05 -66.81 0.49 Allowed 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.064 0.394 . . . . 0.0 112.064 -179.045 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 46.7 t -69.2 -35.88 70.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 112.683 0.623 . . . . 0.0 112.683 -178.071 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 8.3 tp -89.1 -26.47 21.34 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 119.815 -0.754 . . . . 0.0 111.948 -178.166 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.456 ' N ' ' HD2' ' A' ' 102' ' ' PRO . . . -42.25 -53.83 4.77 Favored Glycine 0 CA--C 1.522 0.51 0 C-N-CA 120.926 -0.654 . . . . 0.0 112.987 179.488 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.456 ' HD2' ' N ' ' A' ' 101' ' ' GLY . 57.1 Cg_endo -70.52 -14.02 33.28 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.649 2.233 . . . . 0.0 112.081 179.596 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 41.4 t -78.39 -49.32 21.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.724 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 10.4 t -70.54 -31.99 48.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.174 0.511 . . . . 0.0 110.3 179.305 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.24 -50.59 72.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.763 179.264 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -51.35 -39.99 44.87 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.246 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 24.4 mt -72.76 -41.0 61.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.761 0.315 . . . . 0.0 111.058 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 76.0 t -63.08 -36.18 74.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.119 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -51.79 -46.65 54.4 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.354 -0.927 . . . . 0.0 112.293 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 23.3 mtm -78.14 -19.4 54.1 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.455 0.169 . . . . 0.0 111.402 -179.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 34.9 t -92.6 44.72 1.16 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.866 0.365 . . . . 0.0 111.713 -178.556 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 54.5 t0 -165.98 108.64 0.77 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.687 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 3.0 mtmt -93.07 -4.33 52.61 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 115.527 -0.76 . . . . 0.0 111.196 178.41 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -102.73 -17.68 15.51 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-O 120.706 0.289 . . . . 0.0 110.929 179.593 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . 68.68 62.94 0.33 Allowed 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 112.265 0.469 . . . . 0.0 112.265 178.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -119.82 -13.8 9.04 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 121.019 -0.272 . . . . 0.0 111.613 179.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 80.54 9.41 86.48 Favored Glycine 0 CA--C 1.519 0.298 0 C-N-CA 120.714 -0.755 . . . . 0.0 113.112 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 15.0 mm-40 -122.92 164.32 18.7 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-O 121.092 0.472 . . . . 0.0 111.459 -179.714 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.405 ' HB ' ' HB2' ' A' ' 153' ' ' LEU . 19.7 mm -109.89 100.9 11.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.15 -179.481 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . 0.414 ' O ' ' N ' ' A' ' 123' ' ' GLU . 6.5 m120 -86.73 157.51 19.62 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 110.106 -0.331 . . . . 0.0 110.106 179.436 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -47.87 -38.69 16.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.672 -179.032 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -70.48 -26.75 63.76 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 179.23 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 120' ' ' ASN . 20.7 mt-10 -85.76 -47.53 9.66 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 178.62 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -54.82 -51.43 65.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.811 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -58.48 -40.47 82.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.816 179.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -54.83 -33.34 61.57 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.297 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' TRP . . . . . 0.405 ' HA ' ' CZ ' ' A' ' 40' ' ' PHE . 18.6 t90 -88.18 -36.91 16.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.642 -0.254 . . . . 0.0 111.547 -178.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.28 -42.0 98.96 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.072 0.463 . . . . 0.0 110.156 179.806 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' THR . . . . . 0.4 ' HA ' ' O ' ' A' ' 133' ' ' MET . 70.8 p -72.35 -22.62 61.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.296 178.686 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . 0.401 ' HB1' ' O ' ' A' ' 127' ' ' TRP . . . -67.84 -38.47 83.22 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.315 179.601 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 9.4 mt -85.54 -0.19 54.28 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 112.524 0.565 . . . . 0.0 112.524 -178.235 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 108.59 22.53 6.99 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 119.93 -1.129 . . . . 0.0 113.921 179.09 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' MET . . . . . 0.4 ' O ' ' HA ' ' A' ' 129' ' ' THR . 8.0 mmt -99.17 155.35 17.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 117.361 0.58 . . . . 0.0 109.823 178.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 54.5 m -81.48 161.69 23.55 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.756 0.312 . . . . 0.0 110.95 -179.551 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -66.96 -21.99 65.95 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.952 -179.174 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -83.64 -30.04 27.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.639 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.65 -35.22 70.3 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.396 -179.558 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -59.56 -56.86 16.66 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.027 0.441 . . . . 0.0 110.413 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -47.61 -41.85 22.83 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.414 179.392 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -70.26 -48.23 57.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.752 -179.456 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -63.48 -36.16 82.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.937 0.398 . . . . 0.0 111.719 -179.378 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 83.1 t80 -54.85 -60.74 2.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.823 179.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 20.8 m-20 -55.67 -35.44 66.0 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.535 -0.757 . . . . 0.0 112.215 -179.184 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' GLN . . . . . 0.44 ' NE2' ' HB2' ' A' ' 170' ' ' LEU . 39.7 mt-30 -66.78 -32.36 73.59 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 -179.071 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . 0.433 ' O ' ' N ' ' A' ' 147' ' ' THR . 3.5 t -85.02 -35.8 10.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 112.838 0.681 . . . . 0.0 112.838 -178.131 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.81 79.91 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.265 0.555 . . . . 0.0 111.311 -179.251 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' THR . . . . . 0.433 ' N ' ' O ' ' A' ' 145' ' ' VAL . 0.2 OUTLIER -56.85 -31.62 64.98 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.27 -0.877 . . . . 0.0 112.668 179.598 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -95.88 6.6 48.5 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.41 0.522 . . . . 0.0 112.41 -178.082 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 40.23 29.07 0.19 Allowed Glycine 0 C--N 1.332 0.359 0 C-N-CA 120.986 -0.626 . . . . 0.0 113.195 179.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 45.4 p-10 -88.88 -4.22 58.53 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.633 0.254 . . . . 0.0 111.176 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 87.31 6.04 78.69 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.641 -0.79 . . . . 0.0 113.489 179.097 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -135.36 134.92 40.27 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 117.627 0.713 . . . . 0.0 110.792 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . 0.405 ' HB2' ' HB ' ' A' ' 119' ' ' ILE . 56.2 mt -101.02 105.63 16.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.291 179.016 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 27.0 t -88.35 165.84 14.69 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.706 -179.1 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 155' ' ' LEU . . . . . 0.411 ' HA ' HD11 ' A' ' 158' ' ' LEU . 81.6 mt -48.23 -44.35 33.05 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.71 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -57.35 -51.55 68.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.244 0.545 . . . . 0.0 110.831 179.475 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -64.98 -15.03 61.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.41 -0.814 . . . . 0.0 112.472 -178.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . 0.411 HD11 ' HA ' ' A' ' 155' ' ' LEU . 0.2 OUTLIER -75.54 -39.53 58.13 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.173 179.553 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.36 -31.43 63.93 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.899 0.381 . . . . 0.0 110.643 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 49.8 p -53.82 -23.28 11.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.566 179.589 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -65.26 -58.28 6.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.537 179.035 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 162' ' ' VAL . . . . . 0.462 HG11 ' CE2' ' A' ' 165' ' ' PHE . 3.8 t -54.08 -22.97 8.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.723 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 24.8 ttm180 -37.04 -36.12 0.12 Allowed 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 -179.069 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -159.5 77.11 0.69 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.723 0.297 . . . . 0.0 111.243 -179.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 165' ' ' PHE . . . . . 0.462 ' CE2' HG11 ' A' ' 162' ' ' VAL . 20.3 p90 -109.3 -28.53 8.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.693 179.511 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . 0.45 ' CE1' HD22 ' A' ' 9' ' ' LEU . 1.8 m170 -72.86 -18.6 61.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.393 179.001 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 167' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -104.43 -17.88 14.61 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.719 179.316 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . 125.56 103.61 1.41 Allowed Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.268 -179.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 169' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.91 -78.65 0.52 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.869 0.366 . . . . 0.0 110.984 -179.815 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 170' ' ' LEU . . . . . 0.44 ' HB2' ' NE2' ' A' ' 144' ' ' GLN . 0.0 OUTLIER -170.21 -81.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.479 179.906 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -156.41 31.66 0.33 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.26 -179.678 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 172' ' ' VAL . . . . . 0.431 ' O ' ' N ' ' A' ' 174' ' ' LEU . 7.3 p -112.15 -48.91 6.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.196 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 64.35 -73.25 0.05 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.883 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 174' ' ' LEU . . . . . 0.431 ' N ' ' O ' ' A' ' 172' ' ' VAL . 0.2 OUTLIER 72.96 46.22 0.26 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.062 179.665 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 175' ' ' LEU . . . . . . . . . . . . . 7.3 tp -159.65 -67.9 0.08 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.775 0.321 . . . . 0.0 111.057 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 176' ' ' GLY . . . . . 0.442 ' HA3' ' CZ2' ' A' ' 16' ' ' TRP . . . . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.458 -1.19 . . . . 0.0 112.55 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 500' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 501' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 502' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 43.8 p . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.711 0.291 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER 59.03 23.85 12.03 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.976 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -58.24 111.19 1.12 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.969 0.414 . . . . 0.0 111.328 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.3 mt -77.35 -35.34 22.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.667 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.61 -34.69 78.38 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.975 -179.223 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -57.81 -46.7 84.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.824 0.345 . . . . 0.0 111.048 -179.603 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.44 -46.71 89.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.561 -179.719 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -60.9 -48.75 80.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.594 -179.061 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.446 HD13 ' CE1' ' A' ' 166' ' ' HIS . 47.8 mt -77.49 -29.72 52.71 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 121.043 -0.263 . . . . 0.0 111.514 -179.264 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.95 -50.86 72.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.809 0.338 . . . . 0.0 111.015 -179.287 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.434 ' O ' ' N ' ' A' ' 15' ' ' ARG . 42.6 mttm -62.61 -44.99 94.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.05 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.01 -28.53 2.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.779 0.323 . . . . 0.0 111.331 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -74.54 -61.96 1.69 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.909 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -68.17 -21.42 64.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.902 0.382 . . . . 0.0 110.575 179.479 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.434 ' N ' ' O ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -75.42 -16.54 60.33 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.48 -179.74 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 2.2 m0 -111.18 18.14 19.64 Favored 'General case' 0 C--N 1.333 -0.135 0 N-CA-C 112.11 0.411 . . . . 0.0 112.11 -179.157 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -80.36 81.01 6.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.917 0.389 . . . . 0.0 110.773 179.646 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -54.77 -51.99 63.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.551 -179.239 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.405 ' OD1' ' N ' ' A' ' 19' ' ' ASP . 7.8 p-10 -96.57 -12.75 23.59 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.548 0.213 . . . . 0.0 111.466 -179.603 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.36 43.03 21.39 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.535 -0.84 . . . . 0.0 111.899 -179.577 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.413 ' OD1' ' N ' ' A' ' 21' ' ' ASN . 9.1 p-10 -92.22 -11.58 35.02 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 111.6 0.222 . . . . 0.0 111.6 -179.543 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 83.66 21.0 58.85 Favored Glycine 0 C--N 1.331 0.295 0 C-N-CA 120.551 -0.833 . . . . 0.0 112.326 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -155.28 178.36 10.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.716 0.293 . . . . 0.0 110.676 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 19.7 mt -118.65 124.09 46.54 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.783 179.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -119.48 173.47 6.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.042 0.449 . . . . 0.0 110.393 179.607 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 32.8 ttp180 -69.59 -32.51 71.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.052 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.29 -18.82 65.58 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.048 179.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.3 -31.46 67.48 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 179.318 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -78.91 -41.33 29.84 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.217 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -61.99 -39.75 93.28 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 179.545 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.36 -42.18 88.43 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.106 0.479 . . . . 0.0 109.846 179.08 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.4 ' O ' HG12 ' A' ' 36' ' ' ILE . 1.3 tt0 -52.04 -63.01 1.28 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.139 179.409 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -44.39 -49.23 9.75 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.88 0.371 . . . . 0.0 111.265 179.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -62.35 -49.5 75.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.421 179.807 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 17.2 t60 -54.26 -23.97 16.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.905 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.4 HG12 ' O ' ' A' ' 32' ' ' GLU . 14.2 mm -82.92 -50.93 15.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.016 179.79 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -46.27 -43.75 15.91 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 120.935 0.398 . . . . 0.0 111.124 179.56 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -61.02 -41.96 97.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.398 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.58 -29.34 69.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.79 0.329 . . . . 0.0 110.846 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.426 ' CE2' ' SG ' ' A' ' 111' ' ' CYS . 2.3 m-85 -91.82 4.9 51.82 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.62 -179.772 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 70.35 20.61 76.96 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.365 -0.922 . . . . 0.0 111.982 -179.282 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -88.73 -179.2 5.95 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.113 0.482 . . . . 0.0 111.248 -179.461 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.446 ' CB ' ' HB1' ' A' ' 46' ' ' ALA . 0.4 OUTLIER -70.53 -154.9 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.971 -179.666 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -138.62 -61.69 0.58 Allowed 'General case' 0 N--CA 1.456 -0.174 0 N-CA-C 108.415 -0.958 . . . . 0.0 108.415 178.043 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -96.76 23.06 37.09 Favored Glycine 0 N--CA 1.451 -0.334 0 CA-C-N 115.105 -0.952 . . . . 0.0 112.206 179.317 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.446 ' HB1' ' CB ' ' A' ' 43' ' ' ASP . . . -73.16 -166.12 0.29 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 117.068 0.434 . . . . 0.0 111.117 179.296 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -83.14 -55.39 4.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.901 0.381 . . . . 0.0 110.067 178.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -50.79 -42.31 57.89 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.698 -179.412 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 20.4 t -77.07 -39.05 28.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 110.148 -0.316 . . . . 0.0 110.148 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.16 -40.93 95.72 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 178.479 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.2 m -58.1 -57.64 11.95 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.411 179.178 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 13.1 tp -51.2 -58.27 6.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.31 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.84 -40.52 56.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.765 -0.198 . . . . 0.0 110.776 179.717 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 49.2 t-20 -57.75 -40.4 79.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.999 0.428 . . . . 0.0 110.041 179.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.93 -46.28 68.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.528 179.227 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -54.53 -32.32 57.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.719 179.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -62.39 -51.5 55.91 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.545 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -63.14 -26.81 69.63 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.48 -0.866 . . . . 0.0 112.401 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 7.8 tt -58.31 -42.56 86.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.868 0.366 . . . . 0.0 110.521 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 31.5 t80 -60.97 -40.19 92.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.135 179.349 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -42.91 -49.3 5.92 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.254 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.466 ' CE1' ' HG3' ' A' ' 66' ' ' GLU . 4.6 t80 -59.66 -36.43 76.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.637 179.703 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 74.2 mt -65.12 -54.67 26.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.452 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.406 ' HA ' ' CG2' ' A' ' 69' ' ' VAL . . . -56.81 -49.24 75.98 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.171 -0.468 . . . . 0.0 112.117 179.409 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.21 -50.61 71.1 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.789 0.328 . . . . 0.0 111.204 -179.164 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.466 ' HG3' ' CE1' ' A' ' 62' ' ' TYR . 1.8 mm-40 -62.87 -40.43 97.49 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.184 179.738 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.423 ' CB ' ' CD2' ' A' ' 75' ' ' LEU . . . -79.14 -26.61 42.78 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 -179.288 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 103.4 4.73 46.63 Favored Glycine 0 CA--C 1.519 0.331 0 C-N-CA 120.5 -0.857 . . . . 0.0 113.704 179.297 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.406 ' CG2' ' HA ' ' A' ' 64' ' ' ALA . 26.2 m -104.53 170.19 2.02 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.839 0.319 . . . . 0.0 110.21 179.469 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -88.4 -178.41 46.92 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.708 -0.758 . . . . 0.0 113.697 -178.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 18.1 m -64.12 -12.67 41.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.474 -0.363 . . . . 0.0 111.044 178.223 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -114.42 14.32 17.86 Favored 'General case' 0 CA--C 1.528 0.128 0 CA-C-O 120.498 0.19 . . . . 0.0 111.474 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -94.31 -167.12 36.91 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.565 -0.826 . . . . 0.0 112.762 -179.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -143.32 154.98 44.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.056 0.455 . . . . 0.0 111.688 -179.186 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.423 ' CD2' ' CB ' ' A' ' 67' ' ' ALA . 0.3 OUTLIER -117.99 139.99 50.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.121 179.078 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 59.1 p -84.5 -174.55 5.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.784 0.326 . . . . 0.0 111.242 -179.545 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -75.42 -50.95 14.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.086 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -56.73 -31.66 64.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.399 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -73.49 -43.67 59.58 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.548 179.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.474 ' CE1' ' OG1' ' A' ' 84' ' ' THR . 24.7 t80 -53.73 -54.42 38.31 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.928 179.627 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 74.7 mt -52.5 -52.27 27.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.559 -179.546 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -57.38 -54.67 44.22 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.871 -179.374 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 19.2 t -70.06 -40.43 78.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 111.875 0.324 . . . . 0.0 111.875 -178.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.474 ' OG1' ' CE1' ' A' ' 80' ' ' PHE . 61.8 m -62.66 -44.14 97.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.875 0.369 . . . . 0.0 110.273 179.721 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -51.82 -48.74 63.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.132 -179.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 13.6 m-80 -59.92 -36.51 77.17 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.762 179.511 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.474 HD21 ' CZ ' ' A' ' 96' ' ' PHE . 0.3 OUTLIER -60.88 -48.43 81.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.349 179.47 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.475 HD11 ' CE1' ' A' ' 166' ' ' HIS . 7.9 mt -74.3 -39.23 48.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.066 179.799 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 32.2 m-85 -87.98 -81.33 0.25 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.092 -179.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.43 -158.94 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.792 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 74.34 136.94 0.06 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.976 0.417 . . . . 0.0 110.685 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -73.44 162.34 54.53 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.989 -179.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -57.63 -56.4 22.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.979 0.419 . . . . 0.0 111.093 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.407 ' O ' ' CG ' ' A' ' 98' ' ' ARG . . . -61.62 -11.48 11.66 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.676 0.621 . . . . 0.0 112.676 -179.476 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.02 -45.26 42.99 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.724 0.297 . . . . 0.0 110.87 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.474 ' CZ ' HD21 ' A' ' 87' ' ' LEU . 0.1 OUTLIER -69.7 -41.33 75.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.689 179.851 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 50.3 t30 -69.59 -35.13 75.04 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.084 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.407 ' CG ' ' O ' ' A' ' 94' ' ' ALA . 8.4 mmp_? -62.43 -56.92 13.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.393 -179.572 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.423 HG23 ' CD2' ' A' ' 62' ' ' TYR . 19.5 t -81.34 -35.74 14.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 112.868 0.692 . . . . 0.0 112.868 -178.134 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.425 ' O ' ' CG2' ' A' ' 103' ' ' VAL . 7.5 tp -88.54 -26.94 21.73 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 119.982 -0.687 . . . . 0.0 111.901 -177.864 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.491 ' N ' ' HD2' ' A' ' 102' ' ' PRO . . . -47.64 -52.86 14.23 Favored Glycine 0 CA--C 1.525 0.678 0 C-N-CA 120.72 -0.752 . . . . 0.0 113.434 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.491 ' HD2' ' N ' ' A' ' 101' ' ' GLY . 25.6 Cg_endo -63.61 -33.26 67.89 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.633 2.222 . . . . 0.0 114.1 -178.693 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.425 ' CG2' ' O ' ' A' ' 100' ' ' LEU . 15.1 m -72.48 -41.0 64.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 C-N-CA 120.149 -0.621 . . . . 0.0 111.348 -178.633 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.407 ' N ' HG21 ' A' ' 103' ' ' VAL . 11.5 t -69.03 -37.77 77.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 120.98 0.419 . . . . 0.0 110.011 178.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -57.51 -47.47 81.86 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.734 178.507 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -49.82 -30.24 14.61 Favored Glycine 0 N--CA 1.449 -0.434 0 CA-C-N 115.468 -0.787 . . . . 0.0 112.401 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 84.3 mt -72.85 -41.14 61.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 121.045 0.45 . . . . 0.0 110.418 179.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.406 ' O ' ' HB2' ' A' ' 112' ' ' ASP . 44.7 t -63.56 -39.89 87.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.635 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -60.83 -39.78 97.31 Favored Glycine 0 N--CA 1.453 -0.211 0 C-N-CA 120.629 -0.795 . . . . 0.0 112.798 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 8.1 ptm -77.44 -26.14 51.25 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.613 0.206 . . . . 0.0 111.502 -179.17 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . 0.437 ' O ' ' C ' ' A' ' 112' ' ' ASP . 3.1 m -97.81 -87.47 0.33 Allowed 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.632 0.605 . . . . 0.0 112.632 -178.362 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . 0.437 ' C ' ' O ' ' A' ' 111' ' ' CYS . 5.8 t0 15.93 103.0 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 124.235 1.014 . . . . 0.0 112.83 -178.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 26.9 mttt -81.75 -8.68 59.72 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.952 -179.389 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 53.0 p30 -128.64 -0.76 5.48 Favored 'General case' 0 CA--C 1.53 0.193 0 N-CA-C 111.891 0.33 . . . . 0.0 111.891 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . 52.29 61.55 3.15 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.629 0.252 . . . . 0.0 111.073 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 52.1 p30 -121.65 -8.57 9.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.56 179.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 80.26 8.34 87.69 Favored Glycine 0 C--N 1.334 0.43 0 C-N-CA 120.823 -0.703 . . . . 0.0 113.137 179.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -121.99 165.73 15.56 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.957 0.408 . . . . 0.0 111.328 -179.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 39.4 mm -109.09 100.38 10.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.398 -179.279 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -86.49 156.05 20.27 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 178.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -47.22 -35.84 8.09 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 121.109 -0.236 . . . . 0.0 111.474 -179.048 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.51 -32.94 70.61 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.238 179.183 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -77.33 -47.02 21.04 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 179.08 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -56.39 -49.07 75.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.731 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -56.48 -44.69 80.88 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.775 -179.257 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -54.74 -31.98 59.15 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 112.331 0.493 . . . . 0.0 112.331 -179.181 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 13.7 t90 -88.69 -37.32 15.64 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 111.701 0.26 . . . . 0.0 111.701 -178.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.16 -43.29 99.12 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.063 0.459 . . . . 0.0 110.337 179.731 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' THR . . . . . 0.419 ' HA ' ' O ' ' A' ' 133' ' ' MET . 1.6 m -73.31 -28.97 62.39 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.495 179.141 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.22 -36.23 82.97 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.412 179.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 21.8 mt -82.92 -4.59 58.37 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.125 0.416 . . . . 0.0 112.125 -178.376 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 110.64 21.83 6.64 Favored Glycine 0 C--N 1.331 0.268 0 C-N-CA 120.024 -1.084 . . . . 0.0 113.655 179.068 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' MET . . . . . 0.419 ' O ' ' HA ' ' A' ' 129' ' ' THR . 7.2 mmt -99.24 155.75 17.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 117.021 0.411 . . . . 0.0 110.072 179.206 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' SER . . . . . 0.416 ' CB ' ' OE1' ' A' ' 137' ' ' GLU . 5.7 m -81.73 165.0 21.34 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.68 0.276 . . . . 0.0 110.874 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.06 -22.86 65.83 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.89 0.376 . . . . 0.0 111.151 -179.764 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -80.2 -26.32 39.26 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.138 179.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . 0.416 ' OE1' ' CB ' ' A' ' 134' ' ' SER . 2.2 mp0 -73.72 -38.24 64.87 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.635 -179.324 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -59.78 -58.7 7.42 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.0 0.428 . . . . 0.0 110.729 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -47.77 -42.34 25.43 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.399 179.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.64 -50.12 47.29 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.78 -179.455 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -62.88 -37.2 85.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.954 0.407 . . . . 0.0 111.61 -179.153 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 48.9 t80 -53.71 -60.1 3.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.708 179.504 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -58.1 -34.87 70.66 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.417 -0.811 . . . . 0.0 112.699 -179.418 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -66.47 -34.15 77.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.661 0.267 . . . . 0.0 111.663 -178.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . 0.457 ' O ' ' N ' ' A' ' 147' ' ' THR . 23.7 t -84.38 -31.22 7.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 -178.641 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -61.55 78.55 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 121.329 0.585 . . . . 0.0 111.224 -178.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' THR . . . . . 0.457 ' N ' ' O ' ' A' ' 145' ' ' VAL . 65.1 m -56.99 -33.67 67.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.304 -0.862 . . . . 0.0 112.705 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 33.4 p30 -97.76 6.1 48.32 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -178.199 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 40.61 31.85 0.44 Allowed Glycine 0 C--N 1.333 0.392 0 C-N-CA 120.973 -0.632 . . . . 0.0 113.456 179.408 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 48.6 p-10 -88.68 -5.01 58.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.571 0.224 . . . . 0.0 111.086 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 88.49 3.96 77.39 Favored Glycine 0 C--N 1.334 0.433 0 C-N-CA 120.801 -0.714 . . . . 0.0 113.265 179.097 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -134.45 135.41 42.5 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 117.24 0.52 . . . . 0.0 110.899 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 11.6 mt -103.51 100.57 10.43 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.395 179.283 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 6.1 m -89.69 171.23 9.8 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.062 0.458 . . . . 0.0 111.938 -179.144 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 64.3 mt -49.45 -45.36 46.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.659 -0.7 . . . . 0.0 111.326 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.02 -51.67 68.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.108 0.48 . . . . 0.0 111.042 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -63.57 -19.8 65.12 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.732 -0.667 . . . . 0.0 112.643 -178.619 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.65 -29.99 65.24 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.169 179.778 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -77.26 -37.77 52.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.691 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 23.7 m -52.48 -25.84 11.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.35 179.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 161' ' ' ALA . . . . . 0.454 ' CB ' ' HB3' ' A' ' 173' ' ' GLU . . . -67.28 -64.08 0.93 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.625 178.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 162' ' ' VAL . . . . . 0.429 ' CG2' HD11 ' A' ' 174' ' ' LEU . 7.7 p -53.37 -21.95 4.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.921 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 163' ' ' ARG . . . . . 0.406 ' O ' ' CG2' ' A' ' 88' ' ' ILE . 0.8 OUTLIER -39.0 -31.55 0.07 Allowed 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 -179.011 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -162.69 139.66 7.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.023 0.439 . . . . 0.0 111.399 179.784 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 165' ' ' PHE . . . . . 0.465 ' CD2' ' O ' ' A' ' 165' ' ' PHE . 49.3 p90 -178.48 34.91 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.591 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . 0.475 ' CE1' HD11 ' A' ' 88' ' ' ILE . 16.3 m170 -100.71 -55.78 2.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.256 -179.612 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 167' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -89.2 64.93 7.15 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.061 -179.599 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . 51.57 91.26 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.334 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 169' ' ' ARG . . . . . 0.425 ' HD3' ' CD2' ' A' ' 170' ' ' LEU . 0.0 OUTLIER -78.2 -77.11 0.17 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.689 0.28 . . . . 0.0 111.094 -179.737 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 170' ' ' LEU . . . . . 0.425 ' CD2' ' HD3' ' A' ' 169' ' ' ARG . 0.0 OUTLIER -166.18 -88.86 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.887 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -121.5 35.59 4.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.718 0.294 . . . . 0.0 110.889 -179.492 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 16.9 t 66.41 101.21 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.753 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 173' ' ' GLU . . . . . 0.454 ' HB3' ' CB ' ' A' ' 161' ' ' ALA . 18.5 mp0 -61.33 -83.4 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.101 -179.791 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 174' ' ' LEU . . . . . 0.429 HD11 ' CG2' ' A' ' 162' ' ' VAL . 2.5 mt -60.13 -173.35 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.716 179.747 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 175' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -52.98 171.6 0.06 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.529 179.627 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.392 -1.227 . . . . 0.0 112.504 179.997 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 500' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 501' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 502' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 7.0 m . . . . . 0 N--CA 1.487 1.412 0 CA-C-O 120.898 0.38 . . . . 0.0 111.239 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 69.3 -65.79 0.28 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.182 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 178.64 173.79 0.68 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.937 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.1 mp -80.62 -29.6 11.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.226 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.06 -33.53 76.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.03 -0.532 . . . . 0.0 112.403 -179.182 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.11 -49.17 78.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.035 0.445 . . . . 0.0 110.708 -179.821 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -54.33 -46.94 72.98 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.331 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.36 -48.35 80.16 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.792 -179.232 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 35.9 mt -74.98 -39.38 61.31 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.924 -0.31 . . . . 0.0 111.522 -178.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.26 -40.02 76.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.829 0.347 . . . . 0.0 110.715 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.423 ' O ' ' N ' ' A' ' 15' ' ' ARG . 11.1 mtpt -73.31 -46.25 50.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.122 -179.627 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.414 ' O ' ' CE3' ' A' ' 16' ' ' TRP . 2.2 mmp_? -46.91 -28.67 1.68 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.768 0.318 . . . . 0.0 111.022 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -74.46 -59.33 2.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.463 179.504 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -68.96 -14.63 63.16 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.844 179.454 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.423 ' N ' ' O ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -74.06 -22.02 59.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.075 -179.827 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.414 ' CE3' ' O ' ' A' ' 12' ' ' ARG . 1.7 m0 -99.01 -96.74 0.23 Allowed 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 111.806 0.299 . . . . 0.0 111.806 -179.663 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 40.83 72.89 0.14 Allowed 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 121.188 0.518 . . . . 0.0 111.526 -179.301 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -55.62 -50.69 69.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.765 -179.065 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.5 p-10 -98.16 -15.33 19.95 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 111.685 0.254 . . . . 0.0 111.685 -179.277 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 81.11 49.0 5.77 Favored Glycine 0 CA--C 1.518 0.246 0 C-N-CA 120.54 -0.838 . . . . 0.0 112.126 -179.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.0 p30 -95.44 -12.49 25.84 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 111.751 0.278 . . . . 0.0 111.751 -179.568 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 82.06 21.3 61.28 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.302 -179.598 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -158.19 179.71 8.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.631 0.253 . . . . 0.0 110.498 179.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -114.46 116.86 29.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.87 0.367 . . . . 0.0 110.449 179.374 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -116.29 170.78 8.27 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.583 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -70.15 -39.33 75.42 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.583 179.702 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.2 -22.48 51.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.829 179.394 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -70.87 -27.64 63.98 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.012 179.617 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 65.4 m-85 -76.97 -36.02 56.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.739 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -65.39 -40.98 94.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.51 179.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.8 tptt -66.05 -43.69 86.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.866 0.365 . . . . 0.0 110.308 179.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -50.5 -68.08 0.2 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.268 179.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -43.06 -46.03 5.48 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.95 179.507 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -64.61 -54.46 31.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.46 179.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 27.6 t60 -56.37 -39.41 72.88 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.1 179.457 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.414 ' O ' ' N ' ' A' ' 39' ' ' ALA . 56.7 mt -63.1 -54.75 29.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.494 179.245 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -43.01 -46.35 5.48 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.716 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.61 -35.57 74.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.914 0.388 . . . . 0.0 110.086 179.349 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.414 ' N ' ' O ' ' A' ' 36' ' ' ILE . . . -62.11 -33.52 74.61 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 178.716 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -89.7 1.41 56.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.463 178.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 65.08 -157.93 45.88 Favored Glycine 0 N--CA 1.446 -0.673 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.374 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 23.2 mtmt 74.37 -155.29 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.659 0.266 . . . . 0.0 111.214 179.383 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.81 -162.31 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.928 0.394 . . . . 0.0 111.727 -178.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -142.19 -54.26 0.43 Allowed 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 178.107 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -90.87 30.41 6.22 Favored Glycine 0 CA--C 1.519 0.3 0 CA-C-N 114.911 -1.04 . . . . 0.0 112.266 179.56 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.7 -169.55 0.17 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.765 0.283 . . . . 0.0 110.811 179.445 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -87.6 -45.25 10.59 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.813 0.34 . . . . 0.0 111.186 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -58.79 -27.32 64.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.053 -0.521 . . . . 0.0 112.181 -178.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 5.6 p -76.66 -42.4 34.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.594 -0.275 . . . . 0.0 110.554 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -60.93 -42.59 98.45 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 178.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 27.9 m -58.77 -55.82 30.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.832 178.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 47.2 tp -50.42 -60.85 2.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.729 -0.668 . . . . 0.0 110.459 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 35.8 mtpt -50.86 -36.17 36.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.61 -0.268 . . . . 0.0 110.784 179.566 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -59.35 -41.52 89.38 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.874 0.369 . . . . 0.0 110.232 179.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.05 -46.71 67.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.378 178.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -55.43 -33.71 63.81 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.543 179.515 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -63.17 -51.31 56.0 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.264 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -60.12 -28.75 67.01 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.676 -0.774 . . . . 0.0 112.554 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -57.48 -39.35 76.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.728 0.299 . . . . 0.0 110.281 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.417 ' O ' ' N ' ' A' ' 63' ' ' LEU . 47.8 t80 -62.55 -43.9 97.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.399 179.421 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.411 ' N ' ' OD1' ' A' ' 61' ' ' ASP . 0.8 OUTLIER -41.37 -50.33 3.79 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.535 -179.625 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 15.2 t80 -58.05 -33.24 68.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.839 0.352 . . . . 0.0 110.805 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.417 ' N ' ' O ' ' A' ' 60' ' ' PHE . 13.8 mt -67.08 -57.22 7.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.037 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -55.82 -48.33 75.62 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.516 179.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 37.3 mtmt -62.54 -53.35 56.08 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.683 -179.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 43.9 mm-40 -61.52 -40.1 93.41 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.808 179.601 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -76.54 -26.74 55.5 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.82 0.343 . . . . 0.0 111.601 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 103.65 4.09 46.19 Favored Glycine 0 CA--C 1.521 0.455 0 C-N-CA 120.782 -0.723 . . . . 0.0 114.139 178.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 25.5 m -106.0 176.16 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 117.153 0.477 . . . . 0.0 110.942 179.544 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -85.77 177.51 49.74 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 121.004 -0.617 . . . . 0.0 113.853 -178.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.16 -14.03 52.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.136 -0.532 . . . . 0.0 111.082 178.416 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.8 p30 -111.23 14.93 21.7 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 111.608 0.225 . . . . 0.0 111.608 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -94.26 -166.04 36.65 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.503 -0.855 . . . . 0.0 112.641 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 85.3 p -142.06 154.8 45.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.871 0.367 . . . . 0.0 111.361 -179.346 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -117.83 138.4 52.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.297 179.35 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 12.0 p -87.67 178.79 6.65 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.219 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -69.85 -48.24 59.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.133 -179.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.93 -35.69 71.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.461 179.792 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.1 -41.85 61.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.036 0.446 . . . . 0.0 110.042 179.215 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 23.1 t80 -52.31 -54.34 32.82 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.489 179.19 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 79.0 mt -54.76 -51.11 55.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.39 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 58.1 ttt180 -55.74 -54.98 37.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.64 -179.376 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 13.1 t -70.57 -34.61 57.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 111.882 0.327 . . . . 0.0 111.882 -179.218 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 75.5 m -63.03 -43.35 98.92 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.055 0.455 . . . . 0.0 110.087 179.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -49.58 -51.41 37.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.799 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -60.7 -37.63 82.3 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.198 -0.456 . . . . 0.0 112.011 -179.45 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 10.4 mt -56.37 -52.6 63.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.822 0.344 . . . . 0.0 111.011 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.426 HG13 ' NE2' ' A' ' 166' ' ' HIS . 49.6 mm -72.54 -38.38 59.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.439 -179.705 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -92.29 -80.05 0.37 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.405 -179.626 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -59.73 -163.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.945 0.402 . . . . 0.0 111.229 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 69.56 -81.62 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.994 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 134.9 174.73 13.55 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.597 -0.811 . . . . 0.0 112.965 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -58.36 -57.43 12.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.108 0.48 . . . . 0.0 111.483 -179.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.422 ' O ' ' HB2' ' A' ' 98' ' ' ARG . . . -58.87 -14.7 9.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.668 -0.696 . . . . 0.0 112.515 -178.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 16.5 m -76.92 -43.08 36.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.673 0.273 . . . . 0.0 111.228 -179.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 22.7 t80 -71.64 -39.51 70.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.782 0.325 . . . . 0.0 111.782 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 42.0 t-20 -69.52 -34.18 73.9 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.654 -179.579 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.422 ' HB2' ' O ' ' A' ' 94' ' ' ALA . 0.4 OUTLIER -60.46 -66.18 0.57 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.886 0.374 . . . . 0.0 111.993 -179.582 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 42.7 t -72.25 -35.0 51.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 113.083 0.772 . . . . 0.0 113.083 -178.029 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -89.58 -26.01 21.04 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 119.707 -0.797 . . . . 0.0 112.498 -177.721 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -43.35 -60.83 3.01 Favored Glycine 0 CA--C 1.522 0.519 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.579 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_exo -61.4 -16.59 48.18 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.791 2.328 . . . . 0.0 112.439 179.515 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 80.3 t -80.06 -51.59 15.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.191 -179.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 4.9 t -68.66 -32.72 56.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.981 0.419 . . . . 0.0 110.932 179.351 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.07 -56.74 16.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.649 179.664 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -45.37 -38.87 7.03 Favored Glycine 0 CA--C 1.518 0.279 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.199 179.584 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 17.7 mt -75.16 -38.17 41.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.756 0.312 . . . . 0.0 111.139 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 97.0 t -63.52 -32.84 58.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.025 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -71.82 -27.79 70.09 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.592 -0.813 . . . . 0.0 112.35 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.27 -27.47 42.29 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.631 0.253 . . . . 0.0 110.441 179.747 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -86.73 -41.39 14.18 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 113.025 0.75 . . . . 0.0 113.025 -177.528 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . 0.444 ' HA ' ' HG2' ' A' ' 123' ' ' GLU . 11.7 m-20 -63.24 -72.71 0.13 Allowed 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.453 -0.499 . . . . 0.0 110.445 -179.206 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.41 ' HB2' ' O ' ' A' ' 112' ' ' ASP . 0.8 OUTLIER 81.83 -2.42 1.56 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.067 -178.252 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -105.62 -18.63 14.02 Favored 'General case' 0 CA--C 1.528 0.131 0 CA-C-N 116.625 -0.262 . . . . 0.0 110.533 179.487 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . 78.8 43.02 0.08 Allowed 'General case' 0 C--O 1.232 0.151 0 N-CA-C 112.662 0.615 . . . . 0.0 112.662 179.088 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 46.6 p-10 -105.83 -18.67 13.98 Favored 'General case' 0 N--CA 1.463 0.179 0 C-N-CA 121.034 -0.266 . . . . 0.0 110.975 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 79.43 12.21 84.05 Favored Glycine 0 CA--C 1.521 0.462 0 C-N-CA 120.828 -0.701 . . . . 0.0 113.479 179.537 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -124.78 163.91 21.11 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 117.315 0.557 . . . . 0.0 111.828 -179.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.412 ' HB ' ' HB2' ' A' ' 153' ' ' LEU . 31.9 mm -110.34 101.17 12.17 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.186 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.404 -179.452 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . 0.429 ' O ' ' N ' ' A' ' 123' ' ' GLU . 2.5 m-20 -85.71 158.81 19.95 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 179.384 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -48.48 -38.46 20.1 Favored 'General case' 0 C--N 1.332 -0.161 0 C-N-CA 121.143 -0.223 . . . . 0.0 111.286 -178.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.6 -27.3 65.92 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 178.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . 0.444 ' HG2' ' HA ' ' A' ' 112' ' ' ASP . 25.1 mt-10 -85.97 -46.6 10.38 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.348 178.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . 0.47 ' CE2' HD13 ' A' ' 128' ' ' LEU . 3.9 t80 -55.08 -50.7 68.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.955 0.407 . . . . 0.0 110.41 179.664 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . 0.424 ' HA ' ' CB ' ' A' ' 138' ' ' ALA . . . -56.45 -41.89 77.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.381 179.639 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -55.36 -34.95 64.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.471 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 13.1 t90 -83.39 -44.21 15.07 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 112.033 0.382 . . . . 0.0 112.033 -178.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.47 HD13 ' CE2' ' A' ' 124' ' ' PHE . 0.3 OUTLIER -59.64 -43.71 93.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.876 0.37 . . . . 0.0 111.015 -179.43 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' THR . . . . . 0.403 ' HA ' ' O ' ' A' ' 133' ' ' MET . 69.0 p -70.46 -27.62 64.37 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.076 179.372 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.29 -36.45 84.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.331 179.228 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 66.7 mt -85.1 0.56 51.2 Favored 'General case' 0 CA--C 1.531 0.22 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -178.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 108.41 24.63 6.11 Favored Glycine 0 C--N 1.332 0.351 0 C-N-CA 120.159 -1.02 . . . . 0.0 113.874 178.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' MET . . . . . 0.403 ' O ' ' HA ' ' A' ' 129' ' ' THR . 23.5 mmt -101.68 154.87 18.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 117.366 0.583 . . . . 0.0 110.62 179.467 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 1.3 p -82.39 169.35 16.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.738 0.304 . . . . 0.0 111.101 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.87 -22.59 61.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.434 -179.552 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -80.69 -26.34 37.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.946 179.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -75.13 -44.97 44.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.818 -179.409 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . 0.424 ' CB ' ' HA ' ' A' ' 125' ' ' ALA . . . -57.16 -52.07 66.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.817 0.342 . . . . 0.0 110.664 -179.619 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -50.93 -43.34 60.08 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.981 179.435 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.19 -46.5 64.46 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.657 -179.826 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -63.13 -37.15 86.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.619 -179.337 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' PHE . . . . . 0.453 ' CE1' ' HG ' ' A' ' 153' ' ' LEU . 89.6 t80 -52.85 -61.02 2.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.393 179.488 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -55.51 -34.6 64.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.838 -179.348 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -67.92 -31.07 70.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.463 -179.252 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . 0.453 ' O ' ' N ' ' A' ' 147' ' ' THR . 59.8 t -85.02 -35.14 9.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 -178.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.85 77.95 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.137 0.494 . . . . 0.0 111.367 -179.142 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' THR . . . . . 0.453 ' N ' ' O ' ' A' ' 145' ' ' VAL . 2.2 m -56.83 -33.09 66.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.708 -0.678 . . . . 0.0 112.095 179.643 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 56.5 p30 -97.76 4.86 49.79 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.442 0.534 . . . . 0.0 112.442 -178.368 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 40.7 36.95 1.17 Allowed Glycine 0 CA--C 1.521 0.449 0 C-N-CA 120.998 -0.62 . . . . 0.0 113.214 179.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 45.8 p-10 -94.18 -6.92 43.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.519 0.199 . . . . 0.0 111.528 -179.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 93.78 0.46 66.52 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.575 -0.821 . . . . 0.0 113.548 179.133 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -132.74 134.61 44.97 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 117.435 0.618 . . . . 0.0 110.509 179.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . 0.453 ' HG ' ' CE1' ' A' ' 142' ' ' PHE . 56.8 mt -95.58 104.1 16.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.305 179.278 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 9.7 m -88.11 156.6 19.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.929 0.395 . . . . 0.0 111.796 -178.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -44.41 -41.18 6.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.928 -179.408 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.78 -56.52 19.58 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.805 0.336 . . . . 0.0 111.102 -179.531 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -67.89 -14.64 63.13 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.724 0.638 . . . . 0.0 112.724 -179.337 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.41 -44.48 67.84 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 120.892 0.377 . . . . 0.0 111.056 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . 0.417 ' CD2' ' N ' ' A' ' 159' ' ' LEU . 0.3 OUTLIER -72.28 -44.51 62.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.459 -179.22 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 81.1 p -53.75 -44.35 69.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.895 0.379 . . . . 0.0 111.035 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -55.15 -64.79 0.73 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.465 179.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 162' ' ' VAL . . . . . 0.424 ' HB ' ' CB ' ' A' ' 174' ' ' LEU . 11.2 p -52.16 -33.84 17.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 120.971 0.415 . . . . 0.0 110.614 179.346 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 163' ' ' ARG . . . . . 0.42 ' N ' HG11 ' A' ' 162' ' ' VAL . 2.4 ttt180 -52.26 -35.38 49.84 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.421 179.657 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 33.6 m-20 -87.92 72.07 9.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.969 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 2.4 p90 -137.39 12.85 3.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.542 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . 0.426 ' NE2' HG13 ' A' ' 88' ' ' ILE . 17.2 m170 -90.74 -83.4 0.26 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.901 0.381 . . . . 0.0 110.668 179.791 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 167' ' ' PHE . . . . . 0.459 ' CD2' ' O ' ' A' ' 167' ' ' PHE . 50.8 p90 -92.53 109.38 20.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.48 179.681 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . 93.06 -40.11 2.87 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.239 -179.461 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 169' ' ' ARG . . . . . . . . . . . . . 29.3 ptt-85 44.26 -162.97 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.951 0.405 . . . . 0.0 111.703 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 5.9 tp -161.07 -174.6 4.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.058 -179.497 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 -77.36 -4.8 47.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.107 179.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 62.3 t -68.61 -80.95 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.528 0.107 0 CA-C-O 120.6 0.238 . . . . 0.0 110.957 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 44.07 65.68 0.99 Allowed 'General case' 0 CA--C 1.529 0.163 0 CA-C-O 120.72 0.295 . . . . 0.0 111.575 179.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 174' ' ' LEU . . . . . 0.424 ' CB ' ' HB ' ' A' ' 162' ' ' VAL . 7.2 tt -48.38 -47.59 37.34 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.074 0.464 . . . . 0.0 110.737 179.632 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 175' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.56 116.25 8.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.759 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.399 -1.223 . . . . 0.0 112.421 -179.951 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 500' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 501' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 502' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.84 0.352 . . . . 0.0 111.207 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.6 m -139.42 -67.11 0.45 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.035 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 66.78 174.64 0.25 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.0 0.428 . . . . 0.0 111.141 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.5 mp -78.78 -24.12 13.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.002 179.372 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.13 -45.42 88.65 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.904 -0.589 . . . . 0.0 112.194 -179.273 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.7 t -58.27 -58.08 10.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.921 0.391 . . . . 0.0 111.007 -179.558 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -46.66 -52.55 13.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.331 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.12 -44.62 96.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.92 -178.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.401 HD12 ' CG2' ' A' ' 81' ' ' ILE . 8.4 mt -74.85 -37.05 62.34 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.874 -0.331 . . . . 0.0 111.648 -178.459 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.2 tmtm? -60.72 -63.01 1.45 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.827 0.346 . . . . 0.0 110.712 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 37.7 mttp -50.98 -43.47 60.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.938 0.399 . . . . 0.0 110.701 179.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.402 ' NH1' ' OE2' ' A' ' 173' ' ' GLU . 0.9 OUTLIER -45.87 -37.28 6.09 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.303 179.833 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -72.96 -54.74 7.86 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.405 -179.491 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.22 -16.59 63.64 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.62 -179.794 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.7 ttt-85 -74.14 -19.42 60.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.53 0.205 . . . . 0.0 111.538 -179.609 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 11.6 m0 -104.94 -93.14 0.36 Allowed 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 116.798 -0.183 . . . . 0.0 110.991 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 39.96 79.72 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 121.049 0.452 . . . . 0.0 111.732 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 80.9 m-85 -56.22 -52.27 65.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.847 -179.224 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 27.8 p-10 -98.68 -13.97 20.04 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 111.832 0.308 . . . . 0.0 111.832 -179.234 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.18 43.19 21.81 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.448 -0.882 . . . . 0.0 112.193 -179.472 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.9 p30 -92.01 -9.09 44.13 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 111.651 0.241 . . . . 0.0 111.651 -179.625 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 81.12 16.88 73.39 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.415 -0.898 . . . . 0.0 112.413 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -153.59 -179.0 7.39 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.571 0.224 . . . . 0.0 110.504 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 78.4 mt -121.4 122.67 40.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.886 0.374 . . . . 0.0 110.92 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -117.86 172.12 7.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.112 0.482 . . . . 0.0 110.683 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.441 ' HA ' ' CD2' ' A' ' 60' ' ' PHE . 8.0 ttp85 -64.36 -30.49 71.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.001 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.52 -18.92 61.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.313 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -73.63 -30.98 63.29 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 110.183 -0.303 . . . . 0.0 110.183 179.435 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.432 ' CZ ' ' CD1' ' A' ' 63' ' ' LEU . 50.7 m-85 -76.27 -37.08 58.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.923 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -65.29 -35.51 81.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.513 179.67 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.3 mttt -64.73 -40.28 95.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.035 0.445 . . . . 0.0 109.982 179.4 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.479 ' HG2' ' CZ ' ' A' ' 56' ' ' PHE . 2.6 tt0 -56.39 -18.44 11.04 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.32 179.62 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -91.25 -50.54 5.77 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.977 0.418 . . . . 0.0 111.065 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -61.08 -51.56 68.65 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.855 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -54.07 -25.26 20.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.932 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.443 ' CG1' ' O ' ' A' ' 32' ' ' GLU . 16.5 mm -85.23 -50.43 14.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.355 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -45.38 -49.16 13.28 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.781 -0.19 . . . . 0.0 111.099 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -58.73 -34.44 71.37 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 178.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.404 ' N ' ' O ' ' A' ' 36' ' ' ILE . . . -60.56 -31.46 70.58 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 178.404 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -93.94 1.06 56.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.876 179.111 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 59.1 -154.37 29.08 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.979 -0.629 . . . . 0.0 112.889 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.9 ttmt 74.95 -56.49 0.63 Allowed 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 122.389 0.276 . . . . 0.0 111.471 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -164.67 -164.15 0.79 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.128 0.49 . . . . 0.0 111.931 -179.076 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.431 ' O ' ' CG1' ' A' ' 49' ' ' VAL . . . -140.85 -57.1 0.51 Allowed 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 177.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -95.96 25.65 24.36 Favored Glycine 0 N--CA 1.452 -0.246 0 CA-C-N 114.72 -1.127 . . . . 0.0 111.771 179.231 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.36 -172.04 0.14 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.927 0.394 . . . . 0.0 111.188 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -73.05 -53.25 11.58 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.16 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -59.05 -27.75 65.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.952 -179.056 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.431 ' CG1' ' O ' ' A' ' 44' ' ' ALA . 17.1 t -77.26 -44.78 30.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 C-N-CA 120.866 -0.334 . . . . 0.0 110.215 179.517 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.8 tp60 -60.04 -43.35 95.41 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 178.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 85.6 m -57.68 -56.2 25.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.97 179.115 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 51.5 tp -50.63 -56.22 12.84 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.425 ' NZ ' ' HB3' ' A' ' 53' ' ' LYS . 9.7 mtpm? -50.75 -42.06 57.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.786 0.327 . . . . 0.0 110.278 178.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -57.81 -44.7 86.56 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.027 179.551 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.82 -44.26 77.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.368 179.2 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.479 ' CZ ' ' HG2' ' A' ' 32' ' ' GLU . 0.2 OUTLIER -57.72 -31.8 66.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.417 179.652 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -68.76 -48.72 47.48 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.059 179.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -54.98 -36.79 61.16 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.895 -0.669 . . . . 0.0 112.549 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.2 tt -58.55 -35.31 72.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.707 0.289 . . . . 0.0 110.27 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.441 ' CD2' ' HA ' ' A' ' 26' ' ' ARG . 57.6 t80 -60.2 -47.91 83.96 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.649 -0.501 . . . . 0.0 109.649 179.181 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -42.0 -51.03 4.57 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.088 179.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -57.37 -36.06 70.75 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.043 0.449 . . . . 0.0 110.466 179.48 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.432 ' CD1' ' CZ ' ' A' ' 29' ' ' PHE . 28.0 mt -65.1 -56.28 13.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.297 179.427 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.449 ' HA ' ' CG2' ' A' ' 69' ' ' VAL . . . -56.07 -44.64 79.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.199 179.747 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.88 -54.65 27.52 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.001 0.429 . . . . 0.0 110.849 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -62.44 -39.69 94.17 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.743 179.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -77.49 -27.11 51.77 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.867 0.365 . . . . 0.0 111.302 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 64' ' ' ALA . . . 77.33 68.47 1.51 Allowed Glycine 0 CA--C 1.519 0.295 0 C-N-CA 120.914 -0.66 . . . . 0.0 113.911 178.785 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.449 ' CG2' ' HA ' ' A' ' 64' ' ' ALA . 0.0 OUTLIER -124.66 -86.7 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.66 0.23 . . . . 0.0 111.355 179.898 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.55 ' O ' ' CB ' ' A' ' 71' ' ' SER . . . 178.4 -22.81 0.05 OUTLIER Glycine 0 CA--C 1.523 0.58 0 C-N-CA 119.659 -1.258 . . . . 0.0 114.632 -179.651 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.55 ' CB ' ' O ' ' A' ' 70' ' ' GLY . 22.7 t 114.18 -27.15 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.252 1.021 . . . . 0.0 109.745 -178.634 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -110.6 10.62 22.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.082 179.465 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -94.2 -162.86 35.65 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.643 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.4 p -142.79 156.37 44.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.027 0.441 . . . . 0.0 111.503 -179.336 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.5 mt -118.59 142.11 47.94 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.667 179.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 4.3 p -86.61 -170.52 3.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.456 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -75.71 -47.55 25.69 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.371 179.384 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -60.29 -31.69 70.49 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.265 179.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -73.22 -44.61 59.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.007 0.432 . . . . 0.0 110.903 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -52.79 -52.69 55.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.892 179.561 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.44 HD12 HG22 ' A' ' 81' ' ' ILE . 36.1 mt -53.28 -54.22 19.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.671 -0.695 . . . . 0.0 112.015 -179.242 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.42 -49.82 73.43 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.859 -179.209 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 21.9 t -71.69 -48.94 49.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 N-CA-C 112.968 0.729 . . . . 0.0 112.968 -178.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 3.9 t -59.01 -41.04 86.73 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 121.049 -0.26 . . . . 0.0 111.199 -178.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.408 ' O ' ' HB2' ' A' ' 89' ' ' PHE . 2.7 mt-10 -63.28 -42.05 99.05 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -179.051 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.403 ' O ' ' HB2' ' A' ' 90' ' ' GLU . 1.2 t-20 -55.17 -41.09 71.42 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.229 0.455 . . . . 0.0 112.229 -178.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 9.2 mt -59.52 -57.04 14.71 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.809 0.338 . . . . 0.0 111.704 -179.51 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 3.1 mt -73.17 -36.86 51.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 N-CA-C 112.708 0.633 . . . . 0.0 112.708 -178.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.408 ' HB2' ' O ' ' A' ' 85' ' ' GLU . 11.4 m-85 -89.68 -70.25 0.67 Allowed 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.173 0.435 . . . . 0.0 112.173 -178.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.403 ' HB2' ' O ' ' A' ' 86' ' ' ASN . 0.0 OUTLIER -41.58 -79.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.344 0.498 . . . . 0.0 112.344 -178.667 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.5 175.11 10.81 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 112.21 0.448 . . . . 0.0 112.21 -178.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -89.23 -157.07 32.52 Favored Glycine 0 C--N 1.334 0.426 0 C-N-CA 121.068 -0.587 . . . . 0.0 113.406 -179.262 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -56.53 -39.77 73.92 Favored 'General case' 0 N--CA 1.462 0.166 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 -179.188 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -52.92 -25.85 13.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.908 -178.466 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.3 p -82.38 -52.65 6.69 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.038 179.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.461 ' CZ ' HD21 ' A' ' 100' ' ' LEU . 3.4 t80 -71.7 -39.26 70.3 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.845 -179.58 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.411 ' O ' ' N ' ' A' ' 101' ' ' GLY . 33.2 t-20 -69.17 -36.14 77.05 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.555 -179.381 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 -63.19 -65.92 0.62 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.846 0.355 . . . . 0.0 111.638 -179.161 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 9.8 p -66.53 -39.64 84.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 112.658 0.614 . . . . 0.0 112.658 -178.201 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.461 HD21 ' CZ ' ' A' ' 96' ' ' PHE . 7.4 tp -89.87 -23.97 21.5 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 112.819 0.674 . . . . 0.0 112.819 -177.598 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 97' ' ' ASN . . . -44.38 -66.21 1.45 Allowed Glycine 0 CA--C 1.521 0.431 0 C-N-CA 120.519 -0.848 . . . . 0.0 113.212 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -54.09 -18.49 13.7 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.727 2.285 . . . . 0.0 112.68 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 43.7 t -77.61 -46.05 27.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 C-N-CA 120.765 -0.374 . . . . 0.0 111.299 -179.539 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 47.3 t -70.46 -36.32 65.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 121.022 0.439 . . . . 0.0 110.702 179.432 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 16.9 mtpt -57.5 -52.53 65.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.772 179.31 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -47.56 -31.2 6.87 Favored Glycine 0 C--N 1.331 0.262 0 CA-C-N 115.829 -0.623 . . . . 0.0 112.818 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.413 HD12 ' CZ2' ' A' ' 127' ' ' TRP . 46.9 mt -75.39 -39.66 41.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.909 0.385 . . . . 0.0 110.69 179.794 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 10.8 t -62.76 -36.32 74.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.344 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -59.81 -41.08 97.47 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.536 -0.84 . . . . 0.0 112.555 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 1.3 mtp -79.14 -25.07 42.93 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 121.376 -0.13 . . . . 0.0 111.183 -179.519 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 42.9 t -97.15 -26.11 15.07 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 113.328 0.862 . . . . 0.0 113.328 -177.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -62.27 104.88 0.53 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.151 0.5 . . . . 0.0 111.191 -178.453 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 2.8 mtpt -87.5 -21.66 25.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.939 179.373 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -107.55 8.24 29.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.617 -0.265 . . . . 0.0 111.409 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . 40.51 61.63 1.56 Allowed 'General case' 0 N--CA 1.463 0.215 0 N-CA-C 112.136 0.421 . . . . 0.0 112.136 179.539 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -120.06 -10.15 9.48 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 116.67 -0.241 . . . . 0.0 111.421 179.433 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 79.27 9.55 86.89 Favored Glycine 0 C--N 1.334 0.459 0 C-N-CA 120.884 -0.674 . . . . 0.0 113.167 179.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -123.43 167.46 13.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.949 0.404 . . . . 0.0 111.363 -179.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.405 HG23 ' CD1' ' A' ' 124' ' ' PHE . 20.1 mm -108.5 99.18 8.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.399 -179.419 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . 0.425 ' O ' ' N ' ' A' ' 123' ' ' GLU . 1.4 m-20 -85.4 155.24 21.37 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 178.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -47.22 -37.55 10.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.595 0.236 . . . . 0.0 111.569 -178.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 -71.26 -27.15 63.24 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 110.156 -0.313 . . . . 0.0 110.156 179.258 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 120' ' ' ASN . 37.6 mt-10 -84.05 -47.96 10.39 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 178.706 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . 0.405 ' CD1' HG23 ' A' ' 119' ' ' ILE . 2.4 t80 -57.47 -50.81 71.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.099 0.475 . . . . 0.0 110.874 179.685 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -55.48 -45.38 76.97 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.016 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -56.71 -31.33 64.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.867 -179.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' TRP . . . . . 0.413 ' CZ2' HD12 ' A' ' 107' ' ' ILE . 12.7 t90 -87.81 -36.44 17.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.603 0.239 . . . . 0.0 111.594 -178.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.73 -41.9 99.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.149 0.499 . . . . 0.0 110.418 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 39.6 p -71.28 -21.86 62.03 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.073 178.569 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.7 -37.34 87.26 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.4 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 38.6 mt -89.12 -13.06 39.37 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 112.226 0.454 . . . . 0.0 112.226 -178.475 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 122.46 29.59 1.29 Allowed Glycine 0 N--CA 1.453 -0.2 0 C-N-CA 119.943 -1.122 . . . . 0.0 113.848 179.226 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' MET . . . . . . . . . . . . . 18.9 mmt -103.18 151.94 22.03 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 178.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.34 163.66 21.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.934 0.397 . . . . 0.0 111.289 -179.491 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 1.3 ttmm -65.01 -26.54 68.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.177 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -78.86 -25.42 43.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.86 179.382 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -73.56 -44.51 57.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.608 -179.552 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -58.79 -56.28 24.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.803 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -48.61 -44.0 36.73 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.197 179.643 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.5 -48.99 58.8 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.464 -179.56 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -62.01 -36.08 80.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.721 -179.049 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 44.0 t80 -55.31 -59.32 4.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.856 179.584 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -58.58 -34.34 70.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.733 -0.667 . . . . 0.0 112.277 -179.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -65.73 -38.63 89.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.966 -178.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . 0.452 ' O ' ' N ' ' A' ' 147' ' ' THR . 20.5 t -82.93 -28.58 8.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 N-CA-C 112.551 0.574 . . . . 0.0 112.551 -178.258 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.14 78.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.054 0.454 . . . . 0.0 111.239 -179.386 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' THR . . . . . 0.452 ' N ' ' O ' ' A' ' 145' ' ' VAL . 17.0 m -56.48 -35.98 68.59 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.661 -0.699 . . . . 0.0 112.289 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 49.4 p-10 -97.12 6.59 48.24 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.234 0.457 . . . . 0.0 112.234 -178.511 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 40.29 37.31 1.1 Allowed Glycine 0 C--N 1.335 0.496 0 C-N-CA 121.087 -0.577 . . . . 0.0 113.325 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 23.2 p-10 -92.56 -6.87 48.67 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.526 0.203 . . . . 0.0 111.504 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 89.34 3.29 75.58 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.581 -0.819 . . . . 0.0 113.425 179.168 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -132.18 133.48 44.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 117.463 0.631 . . . . 0.0 110.712 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 7.6 mt -97.74 100.12 11.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.861 178.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 3.0 t -86.8 164.31 16.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.121 0.486 . . . . 0.0 111.606 -178.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 3.1 mt -45.47 -44.96 12.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.1 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -56.46 -58.76 6.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.131 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -66.07 -14.84 62.42 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.706 -0.679 . . . . 0.0 112.585 -178.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 10.9 mt -70.06 -50.15 43.99 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.919 0.39 . . . . 0.0 110.91 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.01 -38.61 91.49 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.478 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 75.8 p -54.22 -27.97 38.03 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.019 0.438 . . . . 0.0 110.451 179.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -62.45 -69.14 0.27 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.775 179.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 10.2 p -54.97 -32.03 26.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.988 179.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -50.34 -32.83 18.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.067 -179.792 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -94.33 49.35 1.29 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.233 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 1.7 p90 -111.26 -33.29 6.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.919 0.39 . . . . 0.0 110.668 179.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -59.26 -61.94 2.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.494 179.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 167' ' ' PHE . . . . . 0.471 ' CD2' ' O ' ' A' ' 167' ' ' PHE . 54.5 p90 -92.71 110.65 22.09 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.625 179.665 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . 51.86 70.96 0.74 Allowed Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.502 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 169' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -53.97 174.48 0.05 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.862 0.363 . . . . 0.0 110.655 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -140.11 -168.66 2.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.61 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 52.9 p30 -81.4 55.77 2.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.082 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 96.8 t -148.15 -76.09 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.903 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 173' ' ' GLU . . . . . 0.402 ' OE2' ' NH1' ' A' ' 12' ' ' ARG . 2.9 tt0 44.21 57.61 4.18 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.93 -179.773 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 3.5 tt -69.46 73.03 0.34 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.238 -179.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 175' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -126.8 -47.82 1.52 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.526 179.677 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.085 0 CA-C-O 118.382 -1.232 . . . . 0.0 112.422 179.916 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 500' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 501' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 502' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 86.1 m . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.76 0.314 . . . . 0.0 111.638 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 71.13 15.34 6.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 112.137 178.787 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 61.83 113.02 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.902 0.382 . . . . 0.0 110.773 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -78.04 -24.53 14.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.846 179.513 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.98 -45.09 90.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.818 -0.628 . . . . 0.0 112.125 -179.267 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 m -58.99 -57.04 14.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.816 0.341 . . . . 0.0 111.566 -179.387 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -49.07 -51.5 31.06 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 -178.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.412 ' HG3' ' CZ ' ' A' ' 165' ' ' PHE . 17.7 tpp180 -60.47 -44.54 95.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.773 0.321 . . . . 0.0 111.58 -178.534 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 17.0 mt -78.11 -35.19 49.53 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.144 0.424 . . . . 0.0 112.144 -178.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.5 tmtt? -57.84 -54.34 47.99 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.308 -179.428 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.0 mttp -59.69 -45.9 90.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.247 -179.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.408 ' NH1' HD13 ' A' ' 175' ' ' LEU . 0.1 OUTLIER -48.94 -27.47 3.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.878 0.371 . . . . 0.0 111.346 -179.606 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.479 ' CD1' ' HB2' ' A' ' 77' ' ' GLU . 70.3 t80 -72.17 -51.7 20.02 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.712 -179.844 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -69.36 -26.26 64.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.711 179.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -76.97 -20.13 56.49 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.639 179.384 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -108.59 77.97 1.12 Allowed 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.844 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -153.51 82.01 1.17 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.537 0.684 . . . . 0.0 110.958 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -54.98 -48.82 72.77 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 114.836 -1.074 . . . . 0.0 112.59 -178.495 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 15.6 p-10 -97.11 -13.23 22.31 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 111.864 0.32 . . . . 0.0 111.864 -179.457 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 75.06 47.64 12.94 Favored Glycine 0 C--N 1.331 0.293 0 C-N-CA 120.584 -0.817 . . . . 0.0 112.483 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.433 ' OD1' ' N ' ' A' ' 21' ' ' ASN . 7.5 p-10 -97.19 -8.97 28.72 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.235 0.457 . . . . 0.0 112.235 -179.454 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 80.32 22.75 62.16 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.373 -0.918 . . . . 0.0 112.52 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -155.72 172.52 18.18 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 110.318 -0.253 . . . . 0.0 110.318 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.5 mp -112.54 119.96 39.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.763 0.316 . . . . 0.0 110.648 179.621 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -119.28 168.51 10.84 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.049 179.494 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 39.3 ptt85 -71.59 -34.59 70.03 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.225 -179.472 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.67 -20.32 55.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.012 179.623 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 43.9 m-20 -70.92 -24.47 62.46 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.789 0.328 . . . . 0.0 110.275 179.547 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.421 ' HB3' ' HB3' ' A' ' 56' ' ' PHE . 19.0 m-85 -77.95 -35.15 50.7 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.266 -179.775 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -65.71 -37.59 86.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.817 0.341 . . . . 0.0 110.245 179.552 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.37 -45.44 72.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.811 179.687 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.409 ' O ' HG13 ' A' ' 36' ' ' ILE . 4.2 tt0 -47.94 -67.08 0.31 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.357 179.802 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -45.07 -47.54 11.9 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.938 0.399 . . . . 0.0 111.203 179.356 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -61.36 -55.9 26.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.969 -0.559 . . . . 0.0 109.868 179.543 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -52.7 -27.82 19.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.49 179.756 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.409 HG13 ' O ' ' A' ' 32' ' ' GLU . 96.2 mt -77.68 -57.54 5.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.55 179.122 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -40.92 -46.0 2.68 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.774 -179.622 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -57.89 -40.29 79.93 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.635 179.726 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.26 -27.54 69.41 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.728 179.257 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -90.97 1.23 57.21 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.602 -179.741 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 67.84 13.43 63.86 Favored Glycine 0 C--N 1.332 0.341 0 C-N-CA 120.705 -0.76 . . . . 0.0 113.304 179.516 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 56.3 mmtt -91.63 155.06 18.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.782 0.325 . . . . 0.0 110.761 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -70.84 129.8 40.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.363 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.6 -15.63 63.76 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.799 -179.575 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -102.09 16.97 55.13 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.285 -0.96 . . . . 0.0 113.42 -179.19 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.05 -170.49 0.35 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.867 0.333 . . . . 0.0 110.772 179.354 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -89.5 -45.14 9.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.004 0.431 . . . . 0.0 111.076 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -62.2 -23.62 66.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.992 -179.087 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.7 p -75.94 -45.13 37.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.457 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -61.9 -39.3 91.53 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 179.118 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 94.5 m -60.49 -54.98 39.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 109.965 178.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 11.6 tp -52.27 -59.54 4.28 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.515 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.3 mttt -50.93 -37.07 41.93 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 121.002 0.429 . . . . 0.0 110.025 179.348 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -58.6 -44.21 89.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.22 179.277 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.441 ' CB ' ' O ' ' A' ' 102' ' ' PRO . . . -69.37 -46.23 67.45 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.018 179.633 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.421 ' HB3' ' HB3' ' A' ' 29' ' ' PHE . 0.4 OUTLIER -55.12 -30.86 60.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.496 179.789 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -62.63 -51.11 58.4 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.508 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -61.89 -28.02 69.55 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.586 -0.816 . . . . 0.0 112.512 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 12.5 tp -56.84 -35.38 68.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.751 0.31 . . . . 0.0 110.622 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 50.7 t80 -64.52 -40.24 95.25 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.62 179.33 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -42.39 -51.69 4.84 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.629 -179.788 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.413 ' OH ' ' NE2' ' A' ' 91' ' ' GLN . 16.1 t80 -58.9 -35.1 72.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.035 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 86.5 mt -66.55 -60.19 2.95 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.797 0.332 . . . . 0.0 110.755 -179.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.405 ' O ' ' N ' ' A' ' 68' ' ' GLY . . . -54.34 -45.07 72.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.349 179.724 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.37 -53.96 40.41 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.091 0.472 . . . . 0.0 110.519 179.819 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -62.07 -41.47 98.19 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.017 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -77.2 -26.35 52.73 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.515 -179.403 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 64' ' ' ALA . . . 103.01 2.0 48.69 Favored Glycine 0 CA--C 1.521 0.429 0 C-N-CA 120.69 -0.767 . . . . 0.0 114.366 178.759 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 31.6 m -102.96 173.41 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 117.244 0.522 . . . . 0.0 110.923 179.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -88.17 -179.63 46.98 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 121.146 -0.549 . . . . 0.0 114.117 -178.489 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.23 -16.41 61.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.332 -0.434 . . . . 0.0 111.643 178.754 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 7.4 p30 -111.73 14.41 21.13 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 111.622 0.231 . . . . 0.0 111.622 -179.679 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -93.79 -166.52 37.45 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.454 -0.879 . . . . 0.0 112.655 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -141.95 154.75 45.29 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.949 0.404 . . . . 0.0 111.369 -179.469 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.7 mp -113.15 136.61 52.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.362 179.56 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 5.6 p -83.84 -172.87 4.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.659 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.479 ' HB2' ' CD1' ' A' ' 13' ' ' PHE . 1.0 OUTLIER -81.45 -51.48 8.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.815 0.341 . . . . 0.0 110.453 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -55.5 -34.38 64.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.799 179.164 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -73.96 -42.06 61.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.947 179.125 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.481 ' CE1' ' OG1' ' A' ' 84' ' ' THR . 32.1 t80 -52.84 -51.42 61.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.79 179.194 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 10.7 mt -56.22 -49.14 77.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.215 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.66 -50.61 72.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.327 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 32.4 t -72.89 -43.49 59.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.894 -179.406 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.481 ' OG1' ' CE1' ' A' ' 80' ' ' PHE . 79.5 m -60.6 -47.42 86.28 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.99 0.424 . . . . 0.0 110.229 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -53.03 -49.66 65.82 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.279 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.443 ' O ' ' N ' ' A' ' 90' ' ' GLU . 77.8 m-20 -59.52 -40.06 85.9 Favored 'General case' 0 C--N 1.334 -0.083 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.346 -179.798 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 6.3 mt -58.33 -43.67 88.36 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.876 0.369 . . . . 0.0 110.28 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 10.2 mt -71.75 -34.5 52.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.247 179.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 30.6 m-85 -92.89 -74.81 0.51 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.606 -179.392 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 86' ' ' ASN . 0.0 OUTLIER -66.93 -157.17 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.981 -179.782 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.413 ' NE2' ' OH ' ' A' ' 62' ' ' TYR . 3.3 mp0 70.32 -90.22 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.903 -179.741 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 128.69 -179.47 16.6 Favored Glycine 0 C--N 1.331 0.295 0 C-N-CA 120.202 -0.999 . . . . 0.0 113.172 179.638 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -59.05 -63.06 1.44 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.13 0.49 . . . . 0.0 110.874 179.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.405 ' O ' ' HB2' ' A' ' 98' ' ' ARG . . . -59.03 -16.99 21.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.589 -0.732 . . . . 0.0 112.086 -179.334 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.91 -48.32 16.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.026 0.441 . . . . 0.0 110.454 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -72.22 -38.01 69.08 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.823 179.591 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 16.8 m-20 -69.29 -35.65 76.24 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.396 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.405 ' HB2' ' O ' ' A' ' 94' ' ' ALA . 5.7 mtp85 -62.14 -64.56 0.89 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.963 0.411 . . . . 0.0 111.482 -179.569 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 6.3 p -70.72 -39.69 76.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 112.842 0.682 . . . . 0.0 112.842 -177.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 2.7 tp -86.13 -26.58 25.14 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 119.967 -0.693 . . . . 0.0 112.217 -177.286 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -43.39 -62.87 2.31 Favored Glycine 0 CA--C 1.521 0.444 0 C-N-CA 120.521 -0.847 . . . . 0.0 112.329 179.465 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.441 ' O ' ' CB ' ' A' ' 55' ' ' ALA . 35.5 Cg_exo -59.02 -19.6 49.27 Favored 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 122.489 2.126 . . . . 0.0 112.049 179.432 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 6.2 t -78.15 -50.56 19.28 Favored 'Isoleucine or valine' 0 C--O 1.232 0.172 0 C-N-CA 120.857 -0.337 . . . . 0.0 110.829 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 59.0 t -69.66 -34.58 61.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.108 0.48 . . . . 0.0 110.263 178.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.83 -56.96 13.72 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.735 179.297 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -45.83 -35.58 6.12 Favored Glycine 0 C--N 1.331 0.255 0 C-N-CA 120.934 -0.65 . . . . 0.0 112.627 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 13.5 mt -75.95 -39.01 36.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.628 0.251 . . . . 0.0 111.346 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 36.0 t -61.72 -35.05 65.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.965 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -61.67 -37.36 94.11 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.474 -0.869 . . . . 0.0 112.124 179.687 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -79.93 -26.47 40.11 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.525 0.202 . . . . 0.0 110.497 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 17.3 m -94.04 45.83 1.15 Allowed 'General case' 0 CA--C 1.52 -0.184 0 CA-C-O 121.334 0.588 . . . . 0.0 111.293 -178.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -166.68 108.33 0.69 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.221 -0.9 . . . . 0.0 110.313 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 2.3 mttp -95.03 3.35 54.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.425 179.041 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 25.4 p30 -104.37 -19.54 14.03 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-O 120.788 0.328 . . . . 0.0 110.596 179.484 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . 65.85 58.15 0.78 Allowed 'General case' 0 C--O 1.232 0.147 0 CA-C-N 116.283 -0.417 . . . . 0.0 112.006 179.099 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 55.6 p30 -114.59 -12.73 12.21 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.701 -0.227 . . . . 0.0 111.394 179.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 82.6 5.56 89.36 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.636 -0.793 . . . . 0.0 113.108 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -122.35 161.01 24.2 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.052 0.453 . . . . 0.0 111.516 -179.556 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 27.3 mm -108.81 99.99 9.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.823 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . 0.433 ' O ' ' N ' ' A' ' 123' ' ' GLU . 1.5 m120 -84.95 155.73 21.49 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 179.191 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -45.75 -36.63 5.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.582 0.23 . . . . 0.0 111.531 -178.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -70.1 -28.74 65.65 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.696 0.284 . . . . 0.0 110.371 179.305 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 120' ' ' ASN . 35.7 mt-10 -83.66 -47.62 11.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.614 -0.266 . . . . 0.0 110.782 179.331 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -55.8 -44.46 77.81 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.126 0.489 . . . . 0.0 110.453 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -58.21 -43.99 87.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.08 179.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -54.57 -32.7 59.01 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 115.921 -0.581 . . . . 0.0 112.553 -179.4 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' TRP . . . . . 0.405 ' NE1' HD12 ' A' ' 131' ' ' LEU . 15.8 t90 -89.49 -32.82 17.02 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.708 0.29 . . . . 0.0 111.671 -178.671 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.77 -46.18 86.4 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.922 0.391 . . . . 0.0 110.724 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' THR . . . . . 0.418 ' HA ' ' O ' ' A' ' 133' ' ' MET . 36.0 p -69.8 -22.34 63.32 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.994 178.704 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -66.36 -39.11 88.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.433 179.72 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.405 HD12 ' NE1' ' A' ' 127' ' ' TRP . 1.3 mt -88.36 -4.99 58.57 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 112.781 0.66 . . . . 0.0 112.781 -178.307 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 114.7 25.98 3.78 Favored Glycine 0 CA--C 1.517 0.218 0 C-N-CA 119.813 -1.185 . . . . 0.0 113.972 178.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' MET . . . . . 0.418 ' O ' ' HA ' ' A' ' 129' ' ' THR . 2.9 mmt -104.2 152.44 22.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 117.529 0.665 . . . . 0.0 110.615 179.422 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.18 160.07 24.45 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.863 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 3.2 mtpp -64.28 -22.13 66.84 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 111.952 0.353 . . . . 0.0 111.952 -178.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -81.71 -25.64 35.29 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.854 0.359 . . . . 0.0 111.403 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -73.19 -40.18 64.99 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.45 -179.63 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -61.08 -56.22 23.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.866 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -47.51 -42.22 22.65 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.965 179.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -70.91 -45.32 64.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.334 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . 0.401 ' O ' ' HG2' ' A' ' 144' ' ' GLN . . . -64.04 -33.97 76.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.198 -179.524 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 81.1 t80 -56.69 -60.51 3.45 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.117 0.484 . . . . 0.0 110.197 179.327 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 67.6 m-20 -56.67 -34.95 67.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.542 -0.754 . . . . 0.0 112.537 -179.552 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' GLN . . . . . 0.401 ' HG2' ' O ' ' A' ' 141' ' ' ALA . 2.3 pt20 -69.75 -28.58 65.9 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-O 120.725 0.298 . . . . 0.0 111.339 -179.005 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . 0.448 ' O ' ' N ' ' A' ' 147' ' ' THR . 44.6 t -85.78 -35.84 9.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.176 -0.466 . . . . 0.0 112.044 -178.465 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.75 78.08 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.047 0.451 . . . . 0.0 111.138 -179.388 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' THR . . . . . 0.448 ' N ' ' O ' ' A' ' 145' ' ' VAL . 0.0 OUTLIER -56.86 -31.36 64.72 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.675 179.463 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 48.6 p30 -97.85 5.11 49.45 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.23 -0.441 . . . . 0.0 112.074 -178.72 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 39.79 37.73 0.99 Allowed Glycine 0 C--N 1.335 0.511 0 C-N-CA 121.097 -0.573 . . . . 0.0 113.151 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 27.9 p-10 -92.89 -6.61 48.26 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 111.596 0.221 . . . . 0.0 111.596 -179.692 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 89.58 3.54 74.46 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.547 -0.835 . . . . 0.0 113.424 179.147 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -134.0 135.49 43.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 117.426 0.613 . . . . 0.0 110.772 179.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 32.6 mt -102.91 100.04 9.98 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.915 178.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 23.9 p -88.29 171.77 9.93 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.281 0.562 . . . . 0.0 111.887 -178.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -50.79 -45.27 59.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.406 -0.815 . . . . 0.0 111.667 -179.604 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -57.15 -55.55 33.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.335 0.588 . . . . 0.0 111.106 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -64.79 -17.58 64.32 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.407 -0.815 . . . . 0.0 112.517 -178.496 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 1.6 mt -72.6 -65.44 0.79 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.915 0.388 . . . . 0.0 110.944 179.479 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 3.0 mt -43.59 -45.76 6.87 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.054 -179.722 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -50.95 -59.76 3.8 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.367 179.777 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -60.46 -40.64 91.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.544 179.066 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 93.7 t -51.64 -27.1 7.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.814 179.464 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 30.2 ttm180 -42.75 127.44 3.96 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.215 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -47.42 172.14 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.519 -179.623 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 165' ' ' PHE . . . . . 0.412 ' CZ ' ' HG3' ' A' ' 8' ' ' ARG . 2.0 p90 -61.59 177.54 0.39 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.439 -0.801 . . . . 0.0 111.191 -179.851 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . 0.438 ' O ' ' N ' ' A' ' 168' ' ' GLY . 0.1 OUTLIER -166.29 -161.61 0.48 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.336 -179.73 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 167' ' ' PHE . . . . . . . . . . . . . 5.7 p90 -54.27 88.37 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.837 0.351 . . . . 0.0 110.473 179.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 168' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 166' ' ' HIS . . . 57.47 51.71 56.11 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.474 -0.87 . . . . 0.0 112.023 -179.421 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 169' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.11 -178.84 0.09 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.936 0.398 . . . . 0.0 111.489 -179.578 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 170' ' ' LEU . . . . . 0.413 HD13 ' CG2' ' A' ' 172' ' ' VAL . 0.0 OUTLIER -74.25 -92.36 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.127 -179.667 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -177.36 54.6 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.871 0.367 . . . . 0.0 111.313 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 172' ' ' VAL . . . . . 0.413 ' CG2' HD13 ' A' ' 170' ' ' LEU . 73.7 t -106.49 -77.3 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.105 179.264 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 70.44 -67.0 0.26 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.126 179.087 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 6.9 tt 46.77 96.97 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.884 0.373 . . . . 0.0 111.297 179.74 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 175' ' ' LEU . . . . . 0.408 HD13 ' NH1' ' A' ' 12' ' ' ARG . 13.0 mt -144.27 -49.89 0.28 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.141 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.4 -1.222 . . . . 0.0 112.505 -179.898 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 500' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 501' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 502' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 1.8 t . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.789 0.328 . . . . 0.0 111.115 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.413 ' O ' ' CB ' ' A' ' 3' ' ' ALA . 0.3 OUTLIER 63.54 16.33 9.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.214 -179.897 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.413 ' CB ' ' O ' ' A' ' 2' ' ' THR . . . 80.83 173.3 0.12 Allowed 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 120.96 0.41 . . . . 0.0 111.442 179.717 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 30.2 mm -80.67 -28.56 11.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.228 179.735 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.25 -37.5 87.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.9 -179.403 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.9 t -59.68 -59.09 6.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.888 0.375 . . . . 0.0 110.862 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -45.3 -49.04 13.0 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.742 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.49 -46.15 89.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.68 -179.098 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.427 HD13 ' NE2' ' A' ' 166' ' ' HIS . 55.0 mt -76.08 -33.04 59.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.79 0.328 . . . . 0.0 111.223 -179.162 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.26 -47.99 83.49 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.459 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.5 mttt -66.25 -44.94 82.25 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.59 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.1 -28.66 1.84 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.723 179.598 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 43.1 t80 -75.36 -53.03 9.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.382 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -67.75 -28.3 67.52 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.543 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.7 ttp180 -76.55 -17.96 58.94 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.279 179.675 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -116.85 83.15 1.92 Allowed 'General case' 0 N--CA 1.455 -0.223 0 CA-C-O 121.079 0.466 . . . . 0.0 110.844 -179.839 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -153.41 86.36 1.22 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.574 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -52.92 -50.77 63.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.419 -0.81 . . . . 0.0 112.009 -178.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 26.6 p-10 -99.22 -11.32 21.42 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 -179.121 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 69.34 42.88 72.82 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.405 -0.902 . . . . 0.0 112.112 -179.691 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 20.0 p-10 -89.34 -4.85 57.93 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 111.81 0.3 . . . . 0.0 111.81 -179.322 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 82.17 18.98 65.78 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.561 -0.828 . . . . 0.0 112.811 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -154.66 179.61 8.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.621 0.248 . . . . 0.0 110.552 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.3 tp -118.75 123.31 44.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.737 0.303 . . . . 0.0 110.63 179.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -115.76 170.7 8.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.015 0.436 . . . . 0.0 110.395 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.421 ' HA ' ' CD2' ' A' ' 60' ' ' PHE . 0.0 OUTLIER -69.59 -30.6 68.4 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.634 179.795 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.38 -16.26 63.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.132 179.585 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.29 -33.61 63.29 Favored 'General case' 0 C--O 1.232 0.146 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 179.095 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.414 ' HB3' ' HB3' ' A' ' 56' ' ' PHE . 57.1 m-85 -75.21 -41.18 58.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.386 179.561 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -64.47 -39.92 94.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.959 179.376 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 55.7 mttm -66.44 -40.54 89.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.127 0.489 . . . . 0.0 109.805 179.107 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.408 ' O ' HG13 ' A' ' 36' ' ' ILE . 4.9 tp10 -53.06 -60.46 3.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.063 179.432 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -45.2 -49.33 12.29 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.902 0.382 . . . . 0.0 111.316 179.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -62.37 -47.41 84.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.273 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 1.7 t-160 -57.04 -42.78 81.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.803 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.408 HG13 ' O ' ' A' ' 32' ' ' GLU . 19.9 mt -64.05 -56.28 17.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.719 179.652 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -42.48 -39.18 2.16 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 121.09 0.471 . . . . 0.0 111.021 179.652 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.38 -39.4 90.56 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.258 179.617 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.39 -25.94 64.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.971 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.429 ' CZ ' ' SG ' ' A' ' 111' ' ' CYS . 1.8 m-85 -91.94 3.21 55.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.389 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 51.68 72.01 0.57 Allowed Glycine 0 C--N 1.333 0.387 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.98 179.512 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -150.45 28.89 0.71 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.76 0.314 . . . . 0.0 110.377 179.716 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 60.48 131.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.187 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.91 -8.75 39.3 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.703 -0.68 . . . . 0.0 112.265 -179.483 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -104.06 13.86 52.3 Favored Glycine 0 CA--C 1.52 0.377 0 C-N-CA 120.216 -0.992 . . . . 0.0 114.146 -178.694 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.92 171.76 7.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 117.241 0.52 . . . . 0.0 111.151 179.416 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.59 -45.91 67.51 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.096 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -63.57 -20.89 66.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.499 -179.298 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 14.6 t -76.88 -45.73 30.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 179.521 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 36.2 tp60 -60.06 -39.1 84.86 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 178.733 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 14.6 m -57.42 -59.62 4.87 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.667 179.298 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 24.9 tp -50.69 -57.28 8.67 Favored 'General case' 0 C--N 1.332 -0.163 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.408 -179.525 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 11.0 tttp -49.78 -43.58 48.39 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.714 0.292 . . . . 0.0 110.436 179.44 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -57.65 -43.4 84.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.033 179.508 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.31 -51.47 36.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.681 179.331 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.414 ' HB3' ' HB3' ' A' ' 29' ' ' PHE . 0.1 OUTLIER -52.44 -28.49 20.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.601 179.689 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -67.55 -52.28 31.3 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.55 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -57.76 -28.42 60.27 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.643 -0.789 . . . . 0.0 111.999 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 51.5 tp -59.34 -39.24 82.54 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.712 0.291 . . . . 0.0 110.813 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.421 ' CD2' ' HA ' ' A' ' 26' ' ' ARG . 11.8 t80 -61.13 -43.48 98.82 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.239 179.468 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -43.87 -42.59 5.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.761 0.315 . . . . 0.0 111.11 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.413 ' O ' ' HB2' ' A' ' 66' ' ' GLU . 13.7 t80 -59.25 -41.87 89.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.493 179.613 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 59.5 mt -63.64 -54.29 38.02 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.115 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.407 ' HA ' ' CG2' ' A' ' 69' ' ' VAL . . . -53.81 -48.72 69.6 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 16.0 tttt -64.4 -50.84 66.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.734 0.302 . . . . 0.0 111.386 -179.433 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.413 ' HB2' ' O ' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -62.64 -40.24 96.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.254 179.733 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -78.55 -25.33 45.41 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.815 0.341 . . . . 0.0 111.607 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 101.02 6.93 51.24 Favored Glycine 0 CA--C 1.52 0.397 0 C-N-CA 120.612 -0.804 . . . . 0.0 113.946 179.036 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.407 ' CG2' ' HA ' ' A' ' 64' ' ' ALA . 35.2 m -106.04 170.92 2.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.845 0.322 . . . . 0.0 110.487 179.494 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -86.9 178.58 48.44 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.875 -0.679 . . . . 0.0 114.122 -178.45 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 54.5 m -65.21 -13.14 57.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.266 -0.467 . . . . 0.0 111.097 178.207 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -112.49 12.63 20.02 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 116.776 -0.193 . . . . 0.0 111.496 -179.746 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -94.66 -165.18 35.87 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.469 -0.872 . . . . 0.0 112.779 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -144.15 157.04 44.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.845 0.355 . . . . 0.0 110.924 -179.759 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.7 mp -118.07 142.54 47.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.535 179.325 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 59.6 p -86.77 169.11 12.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.934 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -60.38 -48.51 81.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.609 179.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -59.11 -33.46 70.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.798 179.645 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -73.21 -42.9 62.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.022 0.439 . . . . 0.0 110.189 179.336 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.424 ' CD1' ' OG1' ' A' ' 84' ' ' THR . 7.4 t80 -52.27 -52.78 50.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.606 179.364 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.406 ' O ' ' HB2' ' A' ' 85' ' ' GLU . 62.7 mt -51.31 -53.78 14.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.877 -179.455 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -55.94 -57.19 13.13 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.395 0.517 . . . . 0.0 112.395 -179.036 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 13.9 p -70.48 -36.73 67.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 111.957 0.354 . . . . 0.0 111.957 -179.059 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.424 ' OG1' ' CD1' ' A' ' 80' ' ' PHE . 99.6 m -62.7 -46.88 86.08 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.836 0.35 . . . . 0.0 110.143 179.753 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.406 ' HB2' ' O ' ' A' ' 81' ' ' ILE . 0.4 OUTLIER -49.69 -49.78 46.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.454 -179.743 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -58.29 -34.93 71.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.714 -179.25 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 6.2 mt -59.8 -48.78 80.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.767 0.317 . . . . 0.0 111.077 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 3.0 mt -73.67 -39.34 53.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.085 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 -88.06 -84.49 0.2 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.786 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -62.2 -161.88 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.821 0.343 . . . . 0.0 110.718 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 74.01 125.96 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.962 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -61.02 159.02 28.96 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.714 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.88 -54.41 45.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.887 0.375 . . . . 0.0 111.172 -179.658 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.86 -11.12 11.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.017 -0.538 . . . . 0.0 112.398 -179.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.8 t -74.56 -44.39 51.21 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.928 0.394 . . . . 0.0 111.016 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -68.34 -42.71 78.9 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.096 0.474 . . . . 0.0 110.8 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 41.8 t30 -67.15 -35.42 79.66 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.342 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.89 -62.69 1.48 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.93 -179.456 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 21.6 t -74.3 -36.21 42.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 N-CA-C 112.64 0.607 . . . . 0.0 112.64 -177.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 5.4 tp -89.17 -27.11 20.9 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 119.72 -0.792 . . . . 0.0 111.806 -178.165 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.44 ' N ' ' HD2' ' A' ' 102' ' ' PRO . . . -40.55 -58.58 2.5 Favored Glycine 0 CA--C 1.522 0.501 0 C-N-CA 121.114 -0.565 . . . . 0.0 112.847 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.44 ' HD2' ' N ' ' A' ' 101' ' ' GLY . 29.4 Cg_endo -65.03 -11.39 29.61 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.55 2.167 . . . . 0.0 112.405 179.564 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 48.0 t -80.57 -54.98 9.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.933 0.397 . . . . 0.0 110.841 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.402 HG13 HD23 ' A' ' 158' ' ' LEU . 3.3 t -69.39 -35.82 68.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.89 179.771 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 21.6 mtpt -56.57 -55.26 36.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.82 179.542 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -46.09 -32.1 4.71 Favored Glycine 0 C--N 1.332 0.336 0 C-N-CA 121.04 -0.6 . . . . 0.0 112.788 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 42.9 mt -73.56 -40.37 55.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.134 0.492 . . . . 0.0 110.752 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 33.6 t -63.96 -35.02 72.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.659 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -65.41 -36.45 92.65 Favored Glycine 0 CA--C 1.518 0.253 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.858 -179.671 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 14.8 ptp -79.28 -24.95 42.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.799 0.299 . . . . 0.0 110.993 -179.349 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . 0.482 ' O ' ' N ' ' A' ' 113' ' ' LYS . 35.6 t -95.26 -84.99 0.33 Allowed 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.51 0.559 . . . . 0.0 112.51 -178.156 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . 0.443 ' O ' ' HB2' ' A' ' 113' ' ' LYS . 3.9 m-20 19.35 -81.02 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 124.332 1.053 . . . . 0.0 112.449 -178.587 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' A' ' 111' ' ' CYS . 0.1 OUTLIER 91.69 -20.77 0.11 Allowed 'General case' 0 N--CA 1.457 -0.124 0 C-N-CA 124.274 1.03 . . . . 0.0 111.422 -178.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -107.35 -22.45 12.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.669 0.271 . . . . 0.0 110.535 179.445 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . 67.42 64.66 0.41 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.655 179.462 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 37.7 p30 -125.28 -8.77 7.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.733 179.309 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 79.55 8.16 87.95 Favored Glycine 0 C--N 1.333 0.392 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.973 179.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.88 165.5 15.11 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.051 0.453 . . . . 0.0 111.394 -179.545 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.413 ' HB ' ' HB2' ' A' ' 153' ' ' LEU . 38.4 mm -110.33 98.53 7.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.832 -179.698 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -85.43 158.8 20.12 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 179.32 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . 0.425 ' HA ' ' CD1' ' A' ' 142' ' ' PHE . . . -48.77 -37.25 18.49 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 111.567 0.21 . . . . 0.0 111.567 -178.862 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -70.23 -26.67 63.96 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 179.207 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -83.96 -46.8 11.68 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 178.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -56.46 -52.41 64.78 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.962 0.411 . . . . 0.0 110.915 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -54.98 -44.21 74.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.075 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -55.35 -32.45 62.56 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.519 -179.712 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 13.3 t90 -86.53 -40.67 15.02 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 111.62 0.23 . . . . 0.0 111.62 -179.129 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.423 ' O ' ' CG ' ' A' ' 133' ' ' MET . 0.2 OUTLIER -59.56 -42.82 93.29 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.021 0.438 . . . . 0.0 109.84 179.88 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 65.3 p -71.72 -22.92 61.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.911 178.4 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -66.41 -38.55 87.71 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.757 179.458 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 48.6 mt -84.82 -4.37 59.05 Favored 'General case' 0 CA--C 1.529 0.16 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 -178.609 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 112.67 25.82 4.43 Favored Glycine 0 C--N 1.332 0.321 0 C-N-CA 120.168 -1.015 . . . . 0.0 113.815 178.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' MET . . . . . 0.423 ' CG ' ' O ' ' A' ' 128' ' ' LEU . 3.4 mmt -100.08 154.25 18.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 117.159 0.479 . . . . 0.0 110.34 179.256 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -80.25 179.01 7.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.804 0.335 . . . . 0.0 111.147 -179.458 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.93 -32.61 45.67 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.842 -179.181 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -76.56 -26.06 54.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.856 0.36 . . . . 0.0 111.42 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -73.89 -44.98 53.53 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.944 -179.214 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -58.05 -52.07 67.04 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.911 0.386 . . . . 0.0 110.671 -179.564 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -49.72 -40.4 40.48 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.105 179.399 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -71.6 -44.07 65.09 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.768 -179.515 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -63.6 -36.72 84.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.52 -179.077 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' PHE . . . . . 0.425 ' CD1' ' HA ' ' A' ' 121' ' ' ALA . 74.0 t80 -55.49 -59.85 4.25 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.652 179.605 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 32.5 m-80 -56.37 -35.38 67.64 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.852 -179.528 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -65.13 -34.18 77.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.505 -179.441 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . 0.457 ' O ' ' N ' ' A' ' 147' ' ' THR . 12.4 t -85.15 -34.32 8.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 112.577 0.584 . . . . 0.0 112.577 -178.429 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.1 78.35 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 121.141 0.496 . . . . 0.0 111.209 -179.081 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' THR . . . . . 0.457 ' N ' ' O ' ' A' ' 145' ' ' VAL . 4.0 m -56.39 -33.83 66.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.405 -0.816 . . . . 0.0 112.955 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 31.0 p30 -95.92 7.41 46.44 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.491 0.552 . . . . 0.0 112.491 -178.205 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 43.01 28.25 0.7 Allowed Glycine 0 C--N 1.332 0.325 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.844 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 28.4 p-10 -86.58 -7.04 58.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.774 0.321 . . . . 0.0 110.87 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 86.98 7.02 78.41 Favored Glycine 0 N--CA 1.444 -0.789 0 C-N-CA 120.691 -0.766 . . . . 0.0 113.108 179.337 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 74.9 mt-10 -133.07 133.45 43.02 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 117.528 0.664 . . . . 0.0 110.851 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . 0.413 ' HB2' ' HB ' ' A' ' 119' ' ' ILE . 43.7 mt -98.37 101.5 12.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.154 179.11 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 9.6 p -89.19 167.48 13.07 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.242 0.544 . . . . 0.0 112.165 -178.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -49.91 -46.07 51.57 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.35 -0.841 . . . . 0.0 111.292 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -57.44 -54.76 43.21 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.066 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -64.67 -19.34 65.67 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.731 -0.668 . . . . 0.0 112.441 -178.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . 0.402 HD23 HG13 ' A' ' 104' ' ' VAL . 0.2 OUTLIER -72.01 -56.9 4.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.663 179.562 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 2.5 mt -51.92 -50.88 60.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.253 -179.645 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -50.64 -52.05 43.24 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.949 0.404 . . . . 0.0 110.877 -179.677 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 161' ' ' ALA . . . . . 0.406 ' O ' ' CG1' ' A' ' 172' ' ' VAL . . . -58.48 -37.23 75.08 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.973 179.755 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 63.9 t -53.58 -39.56 38.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.247 179.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.35 62.63 6.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.315 -179.667 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -146.67 53.25 1.1 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.692 179.6 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 165' ' ' PHE . . . . . 0.49 ' O ' ' CG ' ' A' ' 165' ' ' PHE . 11.9 p90 -156.8 112.32 2.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.412 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . 0.427 ' NE2' HD13 ' A' ' 9' ' ' LEU . 3.4 t-80 -179.18 -63.67 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.135 -179.643 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 167' ' ' PHE . . . . . . . . . . . . . 17.7 p90 -104.3 -21.7 13.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.12 -179.592 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . 177.78 81.65 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.444 -0.884 . . . . 0.0 112.804 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 169' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.19 140.47 26.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.763 0.316 . . . . 0.0 110.398 179.714 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -101.28 45.93 0.95 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.356 -179.487 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 72.15 25.45 2.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.496 179.554 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 172' ' ' VAL . . . . . 0.406 ' CG1' ' O ' ' A' ' 161' ' ' ALA . 98.2 t -108.61 -80.03 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.572 0.225 . . . . 0.0 111.438 179.807 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 57.56 -160.29 0.24 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.709 0.29 . . . . 0.0 110.379 -179.591 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 50.8 tp -141.08 -51.98 0.45 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.827 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 175' ' ' LEU . . . . . . . . . . . . . 55.1 mt -97.36 -178.45 4.16 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.099 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.421 -1.211 . . . . 0.0 112.462 -179.853 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 500' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 501' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 502' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 50.6 m . . . . . 0 N--CA 1.488 1.439 0 CA-C-O 120.707 0.289 . . . . 0.0 111.068 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.4 t -173.24 -170.91 0.67 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.191 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 65.34 -76.62 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.156 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 23.9 mm -72.09 -37.0 58.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.235 179.599 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.437 ' HA ' ' NE2' ' A' ' 166' ' ' HIS . . . -63.44 -52.31 62.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.701 -0.682 . . . . 0.0 111.433 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 p -58.98 -52.16 66.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.818 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.69 -52.77 54.55 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.634 -179.644 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.59 -46.07 90.01 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 -178.612 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.437 HD13 ' CE1' ' A' ' 166' ' ' HIS . 13.7 mt -75.27 -33.14 61.22 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 121.075 -0.25 . . . . 0.0 111.5 -178.871 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.04 -44.64 97.09 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.844 0.354 . . . . 0.0 110.602 179.742 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.414 ' O ' ' N ' ' A' ' 15' ' ' ARG . 5.0 mmtm -68.65 -45.1 72.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.182 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -46.77 -33.86 4.76 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.983 0.42 . . . . 0.0 111.006 179.678 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -74.81 -54.53 7.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.874 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -69.51 -17.89 63.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.311 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.414 ' N ' ' O ' ' A' ' 11' ' ' LYS . 2.5 ttt180 -72.63 -21.94 61.03 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.723 0.297 . . . . 0.0 111.066 -179.646 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 43.1 m95 -97.02 -100.23 0.19 Allowed 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.875 179.652 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 42.25 72.04 0.19 Allowed 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 121.144 0.497 . . . . 0.0 111.413 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -53.91 -50.35 66.59 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.77 -178.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 41.1 p-10 -97.84 -11.88 22.77 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 111.767 0.284 . . . . 0.0 111.767 -179.594 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 78.33 43.48 12.88 Favored Glycine 0 C--N 1.331 0.28 0 C-N-CA 120.535 -0.84 . . . . 0.0 111.9 -179.294 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 32.3 p-10 -93.1 -12.62 30.04 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 111.855 0.317 . . . . 0.0 111.855 -179.488 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 81.69 20.83 62.92 Favored Glycine 0 C--N 1.332 0.309 0 C-N-CA 120.533 -0.842 . . . . 0.0 112.523 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -153.92 173.35 16.07 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.654 0.264 . . . . 0.0 110.561 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 43.2 mt -113.89 115.13 27.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.8 0.333 . . . . 0.0 110.307 179.435 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -114.24 171.29 7.7 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.08 0.467 . . . . 0.0 110.425 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 8.4 ttt-85 -64.44 -32.06 73.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.568 179.617 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.11 -21.46 64.04 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.681 -0.691 . . . . 0.0 111.618 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.01 -32.48 70.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.798 0.332 . . . . 0.0 110.156 179.797 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 73.6 m-85 -78.4 -40.88 34.76 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.367 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 -62.25 -37.71 86.48 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.63 -0.259 . . . . 0.0 110.408 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -65.89 -44.4 85.39 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.967 0.413 . . . . 0.0 110.115 179.505 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -52.45 -53.15 49.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.512 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -50.44 -51.55 45.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.809 0.338 . . . . 0.0 110.734 179.48 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.54 -49.39 77.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.162 179.539 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 35.5 t-80 -51.99 -27.1 12.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.374 179.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 17.6 mm -79.23 -53.45 13.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.023 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -46.12 -44.65 15.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.607 -179.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.77 -40.99 97.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.616 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -54.4 -24.15 18.66 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.722 0.296 . . . . 0.0 110.858 -179.367 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -91.85 5.05 51.42 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.496 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 57.7 16.69 24.38 Favored Glycine 0 C--N 1.336 0.538 0 C-N-CA 120.85 -0.69 . . . . 0.0 112.776 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.85 -153.3 0.35 Allowed 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 110.34 -0.244 . . . . 0.0 110.34 179.73 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.422 ' CB ' ' HB1' ' A' ' 46' ' ' ALA . 1.9 m-20 -70.51 -163.5 0.07 Allowed 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.863 0.363 . . . . 0.0 111.088 -179.592 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -141.4 -58.93 0.49 Allowed 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 178.131 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -92.94 22.8 32.24 Favored Glycine 0 N--CA 1.453 -0.222 0 CA-C-N 114.962 -1.017 . . . . 0.0 112.08 179.591 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.422 ' HB1' ' CB ' ' A' ' 43' ' ' ASP . . . -69.55 -163.76 0.06 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 117.343 0.571 . . . . 0.0 110.894 179.51 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -83.66 -51.77 7.0 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.848 0.356 . . . . 0.0 110.681 179.379 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -54.48 -34.38 61.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.229 -179.549 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 3.2 t -77.72 -43.1 29.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.004 179.569 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.08 -44.61 95.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.224 178.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.442 HG21 ' N ' ' A' ' 52' ' ' LEU . 14.4 t -61.62 -49.81 75.1 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.084 179.749 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.442 ' N ' HG21 ' A' ' 51' ' ' THR . 9.4 tp -53.89 -58.75 6.11 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 179.536 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.46 -37.41 56.98 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.353 179.038 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -57.66 -41.5 81.64 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.923 0.392 . . . . 0.0 110.231 179.669 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.71 -40.2 84.29 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.944 179.487 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -59.95 -32.8 71.15 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -62.81 -49.56 71.7 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.535 -0.84 . . . . 0.0 112.096 179.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -57.93 -33.93 70.28 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.717 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 6.3 tt -55.65 -38.71 69.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.948 0.404 . . . . 0.0 110.481 179.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 37.5 t80 -62.18 -46.49 88.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.089 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -42.57 -48.61 5.4 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.495 -179.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.471 ' CE1' ' OE1' ' A' ' 66' ' ' GLU . 4.4 t80 -57.77 -37.98 74.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.103 -179.864 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 20.5 mt -66.47 -59.3 3.79 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.832 0.349 . . . . 0.0 110.956 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.436 ' HA ' ' CG2' ' A' ' 69' ' ' VAL . . . -50.36 -46.21 55.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.816 -179.565 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.87 -51.1 61.64 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.939 0.399 . . . . 0.0 111.05 -179.793 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.471 ' OE1' ' CE1' ' A' ' 62' ' ' TYR . 2.6 tp10 -62.32 -40.65 97.05 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.886 179.649 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -79.09 -26.06 43.01 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.686 -179.56 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 103.16 4.37 47.6 Favored Glycine 0 CA--C 1.519 0.323 0 C-N-CA 120.527 -0.844 . . . . 0.0 113.857 179.066 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.436 ' CG2' ' HA ' ' A' ' 64' ' ' ALA . 32.5 m -104.75 171.52 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.936 0.368 . . . . 0.0 110.565 179.531 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -88.24 -179.39 46.93 Favored Glycine 0 C--N 1.331 0.3 0 C-N-CA 120.837 -0.697 . . . . 0.0 113.978 -178.588 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.95 -12.64 52.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.402 -0.399 . . . . 0.0 111.153 178.296 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -113.45 13.89 18.99 Favored 'General case' 0 CA--C 1.53 0.175 0 N-CA-C 111.509 0.189 . . . . 0.0 111.509 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -94.54 -165.93 36.23 Favored Glycine 0 C--N 1.331 0.276 0 C-N-CA 120.451 -0.881 . . . . 0.0 112.809 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.31 154.35 44.62 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.14 0.495 . . . . 0.0 111.729 -179.128 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -113.62 137.93 50.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.064 179.205 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 56.9 p -85.59 167.2 15.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.658 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -58.85 -50.83 72.51 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.045 0.45 . . . . 0.0 110.508 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -58.12 -32.78 68.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.648 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -73.62 -42.5 61.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.087 179.125 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -53.31 -52.76 58.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.964 179.513 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.415 ' CG2' HD11 ' A' ' 9' ' ' LEU . 56.7 mt -53.47 -51.57 40.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.766 -179.42 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 93.4 mtt180 -55.85 -54.35 45.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.618 -179.555 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 45.1 t -70.58 -35.89 63.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 C-N-CA 120.965 -0.294 . . . . 0.0 111.277 -179.557 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 28.9 m -61.78 -47.91 83.03 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 179.249 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -46.06 -57.39 4.49 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.111 179.343 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.433 ' O ' ' N ' ' A' ' 90' ' ' GLU . 0.9 OUTLIER -59.74 -35.91 75.54 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.372 -179.849 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.1 mt -58.94 -45.21 91.01 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.884 0.374 . . . . 0.0 110.586 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 5.2 mt -74.39 -38.86 47.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.523 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 -91.27 -79.15 0.37 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 86' ' ' ASN . 1.7 tt0 -57.19 -159.51 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.948 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 68.3 -89.2 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.767 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 129.8 -179.89 16.48 Favored Glycine 0 C--N 1.331 0.298 0 C-N-CA 120.105 -1.045 . . . . 0.0 113.42 179.678 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -60.44 -65.18 0.73 Allowed 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.192 0.442 . . . . 0.0 112.192 -179.533 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -55.07 -18.28 5.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.769 -0.65 . . . . 0.0 112.641 -178.393 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 65.2 m -77.1 -46.5 23.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.975 0.417 . . . . 0.0 110.385 179.568 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -71.5 -40.12 70.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.905 179.487 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 23.8 t30 -68.69 -36.25 78.24 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.005 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 66.4 ttt180 -63.01 -60.49 3.38 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.561 -179.519 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 46.3 t -76.0 -35.84 30.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 N-CA-C 112.489 0.552 . . . . 0.0 112.489 -178.31 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 9.9 tp -88.97 -25.97 21.75 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 119.668 -0.813 . . . . 0.0 111.922 -178.169 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.418 ' N ' ' HD2' ' A' ' 102' ' ' PRO . . . -42.56 -62.59 2.15 Favored Glycine 0 CA--C 1.52 0.397 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.457 179.531 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.418 ' HD2' ' N ' ' A' ' 101' ' ' GLY . 26.9 Cg_endo -61.52 -16.57 48.67 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.902 2.402 . . . . 0.0 112.152 179.261 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 89.0 t -80.57 -51.75 15.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.164 179.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 5.6 t -69.7 -34.5 61.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.134 179.013 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.405 ' HB2' ' O ' ' A' ' 101' ' ' GLY . 1.0 OUTLIER -56.7 -54.27 48.14 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.324 179.082 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -46.92 -37.84 9.8 Favored Glycine 0 C--N 1.331 0.263 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.119 179.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 5.9 mt -74.36 -39.79 49.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.841 0.353 . . . . 0.0 111.09 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.414 ' CG1' HD13 ' A' ' 119' ' ' ILE . 85.9 t -62.8 -34.1 63.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.626 179.764 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -60.86 -38.76 95.85 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.107 179.493 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 22.2 mtp -79.79 -25.15 41.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.747 0.308 . . . . 0.0 110.23 179.5 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 49.2 t -92.37 42.49 1.1 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.176 0.512 . . . . 0.0 111.388 -178.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -167.41 109.15 0.63 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.475 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.03 3.36 54.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.375 178.751 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -103.98 -15.5 15.6 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-O 120.566 0.222 . . . . 0.0 110.925 179.721 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . 65.34 58.49 0.85 Allowed 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 112.076 0.398 . . . . 0.0 112.076 179.247 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 52.8 p-10 -115.65 -13.9 11.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.259 179.393 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 79.6 10.1 86.18 Favored Glycine 0 C--N 1.333 0.379 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.988 179.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -123.33 163.11 21.4 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.01 0.434 . . . . 0.0 111.385 -179.395 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.433 HD11 HG22 ' A' ' 119' ' ' ILE . 34.5 mm -109.95 100.4 10.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.33 -179.633 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . 0.405 ' O ' ' N ' ' A' ' 123' ' ' GLU . 1.1 m120 -83.43 160.85 21.48 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 179.389 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -51.32 -36.95 45.14 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.8 0.333 . . . . 0.0 110.574 -179.511 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.79 -26.04 64.08 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 178.693 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 120' ' ' ASN . 7.4 mt-10 -83.52 -47.71 11.04 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.317 -0.401 . . . . 0.0 109.926 178.796 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -57.63 -46.9 83.54 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.96 0.41 . . . . 0.0 110.567 179.61 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -57.24 -47.03 82.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.961 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -54.23 -31.92 54.54 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.648 -179.577 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 27.2 t90 -82.94 -42.07 18.08 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 111.999 0.37 . . . . 0.0 111.999 -178.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.4 ' O ' ' HG2' ' A' ' 133' ' ' MET . 0.7 OUTLIER -60.24 -44.16 95.48 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.71 0.29 . . . . 0.0 111.329 -179.255 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' THR . . . . . 0.423 ' HA ' ' O ' ' A' ' 133' ' ' MET . 0.6 OUTLIER -71.09 -22.26 62.12 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.771 -0.372 . . . . 0.0 110.408 179.207 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -67.93 -38.82 83.34 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.989 179.354 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 14.4 mt -86.85 -1.75 58.04 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -178.506 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 110.01 26.72 4.84 Favored Glycine 0 CA--C 1.518 0.255 0 C-N-CA 120.007 -1.092 . . . . 0.0 113.862 178.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' MET . . . . . 0.423 ' O ' ' HA ' ' A' ' 129' ' ' THR . 9.4 mmt -103.23 153.94 19.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 117.309 0.554 . . . . 0.0 110.56 179.394 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 13.6 t -82.01 156.87 24.43 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.797 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.58 -22.38 65.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.721 0.296 . . . . 0.0 111.515 -179.438 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -81.36 -27.2 34.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.946 0.403 . . . . 0.0 110.968 179.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -72.34 -39.9 67.81 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.63 -179.284 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -60.37 -54.94 39.59 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.981 0.42 . . . . 0.0 110.643 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -49.38 -42.91 43.55 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.238 179.572 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -69.8 -49.71 50.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.689 -179.421 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -61.69 -36.23 80.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.607 -178.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 40.3 t80 -55.6 -58.73 6.59 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.09 179.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -58.19 -34.17 70.07 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 116.016 -0.538 . . . . 0.0 112.221 -179.633 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -65.58 -39.09 91.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.147 -0.479 . . . . 0.0 112.061 -178.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . 0.456 ' O ' ' N ' ' A' ' 147' ' ' THR . 8.7 p -83.48 -33.96 10.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.201 -0.454 . . . . 0.0 112.173 -178.094 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . 0.448 ' N ' HG11 ' A' ' 145' ' ' VAL . 0.9 OUTLIER -59.56 77.69 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.322 -179.008 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' THR . . . . . 0.456 ' N ' ' O ' ' A' ' 145' ' ' VAL . 1.4 m -58.85 -32.23 69.23 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.882 -0.599 . . . . 0.0 112.132 179.478 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' ASN . . . . . 0.417 ' ND2' ' OE1' ' A' ' 157' ' ' GLU . 49.4 p30 -94.57 2.69 55.66 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 -178.006 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 40.7 35.77 0.95 Allowed Glycine 0 C--N 1.332 0.349 0 C-N-CA 121.081 -0.581 . . . . 0.0 113.42 179.55 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 27.6 p-10 -91.65 -6.04 52.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.677 0.275 . . . . 0.0 111.405 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 85.83 7.34 81.33 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.734 -0.746 . . . . 0.0 113.35 179.147 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -135.17 135.99 41.49 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 117.287 0.543 . . . . 0.0 111.143 -179.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . 0.418 ' CB ' ' HB ' ' A' ' 119' ' ' ILE . 8.1 mt -101.71 105.54 16.46 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.828 179.264 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.03 169.31 10.52 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.163 0.506 . . . . 0.0 111.761 -179.606 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 6.3 tp -51.07 -45.56 61.44 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.178 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.12 -55.83 28.23 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.255 -179.52 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 157' ' ' GLU . . . . . 0.417 ' OE1' ' ND2' ' A' ' 148' ' ' ASN . 5.8 mt-10 -65.41 -13.67 59.19 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 -178.698 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.33 -39.01 71.64 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.041 0.448 . . . . 0.0 110.325 179.282 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 1.3 mt -71.9 -40.58 68.74 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.351 179.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 29.5 p -53.27 -27.97 25.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.97 179.313 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -66.81 -47.59 71.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.54 -0.754 . . . . 0.0 110.904 179.052 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 19.2 t -50.88 -62.91 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.833 -0.622 . . . . 0.0 111.437 -179.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.08 149.08 0.99 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.394 -179.751 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 3.2 t70 70.08 49.4 0.48 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.286 179.443 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 165' ' ' PHE . . . . . 0.428 ' CB ' ' HG2' ' A' ' 173' ' ' GLU . 45.1 p90 -107.63 -23.65 12.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.555 179.475 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . 0.437 ' CE1' HD13 ' A' ' 9' ' ' LEU . 4.3 t-160 -60.89 -69.0 0.25 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.562 -179.822 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 167' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -87.2 113.03 22.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.035 0.445 . . . . 0.0 111.411 -179.237 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . 42.92 72.68 0.29 Allowed Glycine 0 C--N 1.332 0.336 0 CA-C-N 115.833 -0.621 . . . . 0.0 112.959 179.61 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 169' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.87 -178.3 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.813 0.34 . . . . 0.0 110.772 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -114.0 -14.01 12.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.348 -179.814 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . 0.452 ' O ' ' CG1' ' A' ' 172' ' ' VAL . 1.8 t70 -166.36 -72.99 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.522 0.201 . . . . 0.0 110.759 179.717 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 172' ' ' VAL . . . . . 0.452 ' CG1' ' O ' ' A' ' 171' ' ' ASP . 0.0 OUTLIER 173.82 33.97 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.691 179.698 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 173' ' ' GLU . . . . . 0.428 ' HG2' ' CB ' ' A' ' 165' ' ' PHE . 0.3 OUTLIER 48.54 -175.2 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.718 0.295 . . . . 0.0 110.828 179.748 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -84.9 -35.4 22.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.62 179.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 175' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.42 -31.7 69.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.655 179.799 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.081 0 CA-C-O 118.389 -1.228 . . . . 0.0 112.478 -179.977 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 500' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 501' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 502' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 41.2 p . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.828 0.347 . . . . 0.0 111.173 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.8 t -59.66 143.31 50.94 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.406 -179.588 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 176.76 -79.03 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.098 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 29.0 mt -77.6 -30.54 16.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.533 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.05 -42.82 99.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.867 -179.182 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -61.15 -55.51 31.52 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.718 -179.429 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -46.92 -51.61 16.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.002 -0.544 . . . . 0.0 112.402 -178.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.35 -45.02 93.13 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 111.813 0.301 . . . . 0.0 111.813 -178.699 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 11.8 mt -75.39 -27.92 59.26 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.655 0.264 . . . . 0.0 111.547 -179.183 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -61.05 -55.99 26.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.665 0.269 . . . . 0.0 110.993 -179.574 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.32 -46.7 79.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.537 -0.302 . . . . 0.0 111.093 -179.803 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -45.64 -28.47 0.99 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.918 0.39 . . . . 0.0 110.992 179.635 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 43.2 t80 -74.58 -59.1 2.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.079 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -70.06 -25.83 63.73 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.888 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.13 -16.94 61.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.539 -0.301 . . . . 0.0 111.026 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.401 ' CH2' ' CE2' ' A' ' 29' ' ' PHE . 2.9 t90 -108.3 14.14 25.12 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 111.773 0.286 . . . . 0.0 111.773 -179.76 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.87 77.64 5.33 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.976 0.417 . . . . 0.0 110.003 179.257 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -54.78 -50.59 68.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.673 -178.827 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 15.1 p-10 -97.35 -14.18 21.42 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 111.643 0.238 . . . . 0.0 111.643 -179.567 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 77.18 45.61 11.29 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.5 -0.857 . . . . 0.0 112.042 -179.587 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 38.7 p-10 -92.04 -10.22 39.95 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 111.777 0.288 . . . . 0.0 111.777 -179.456 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 79.34 20.49 69.33 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.53 -0.843 . . . . 0.0 112.187 -179.633 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -154.08 179.3 9.06 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.1 tp -115.46 117.56 30.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.897 0.38 . . . . 0.0 111.056 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -114.69 168.07 10.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.424 179.79 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 56.7 ttt180 -69.09 -29.68 67.82 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.391 -179.487 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.37 -18.28 64.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.282 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.48 -27.37 62.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.996 0.426 . . . . 0.0 110.114 179.22 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.401 ' CE2' ' CH2' ' A' ' 16' ' ' TRP . 37.1 m-85 -78.0 -40.83 37.84 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.179 -179.506 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -65.65 -36.94 85.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.366 179.442 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.57 -45.32 79.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.953 0.406 . . . . 0.0 110.42 179.419 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.449 ' OE1' ' CE2' ' A' ' 56' ' ' PHE . 2.1 tm-20 -51.07 -57.03 9.74 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.292 179.773 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -51.0 -45.8 61.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.053 0.454 . . . . 0.0 110.343 179.37 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.425 ' CG ' ' HE3' ' A' ' 53' ' ' LYS . 2.3 mm100 -61.85 -52.86 62.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.734 -0.667 . . . . 0.0 109.915 179.136 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 8.8 t60 -55.69 -29.9 60.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.495 179.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 17.0 mm -78.12 -54.6 12.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.825 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -43.97 -48.26 8.62 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.708 0.29 . . . . 0.0 111.341 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.78 -36.25 71.91 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 179.204 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -58.77 -33.76 70.65 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 178.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -90.13 2.59 55.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.702 179.089 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.408 ' O ' ' HB2' ' A' ' 42' ' ' LYS . . . 71.61 -148.77 44.06 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 121.041 -0.599 . . . . 0.0 112.738 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.408 ' HB2' ' O ' ' A' ' 41' ' ' GLY . 12.9 mttt 69.29 -99.02 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 122.717 0.407 . . . . 0.0 111.544 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -170.68 133.58 1.0 Allowed 'General case' 0 C--O 1.232 0.14 0 C-N-CA 120.726 -0.39 . . . . 0.0 111.702 -179.439 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.49 -9.34 48.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.598 179.712 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -102.44 14.41 56.62 Favored Glycine 0 C--N 1.332 0.352 0 C-N-CA 120.526 -0.845 . . . . 0.0 113.578 -179.002 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.87 -171.42 0.14 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.906 0.384 . . . . 0.0 110.863 179.575 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -88.9 -45.0 10.05 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.007 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -63.92 -20.06 65.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.955 -0.566 . . . . 0.0 112.167 -178.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 8.4 p -76.48 -43.19 35.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 C-N-CA 120.575 -0.45 . . . . 0.0 109.802 179.506 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 60.0 tp60 -60.04 -42.72 95.05 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 178.505 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 94.1 m -57.75 -56.3 23.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.596 178.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 31.2 tp -50.33 -60.56 2.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.205 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.425 ' HE3' ' CG ' ' A' ' 34' ' ' GLN . 12.9 mtpt -50.93 -39.3 54.35 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.754 -0.203 . . . . 0.0 110.69 179.517 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -59.55 -42.18 91.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.725 0.298 . . . . 0.0 110.464 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.05 -37.8 78.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.978 0.418 . . . . 0.0 110.577 179.095 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.449 ' CE2' ' OE1' ' A' ' 32' ' ' GLU . 0.5 OUTLIER -64.28 -32.15 73.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.741 179.753 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -66.53 -51.6 41.05 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.444 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -54.75 -31.94 54.25 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.583 -0.818 . . . . 0.0 112.713 -179.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.33 -38.12 76.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.663 0.268 . . . . 0.0 110.733 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.401 ' O ' ' N ' ' A' ' 63' ' ' LEU . 46.2 t80 -59.72 -47.65 84.81 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 179.526 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -42.17 -48.9 4.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.415 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 87.1 t80 -58.68 -36.08 73.62 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.929 0.395 . . . . 0.0 110.474 179.525 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.404 ' HB3' ' CD2' ' A' ' 75' ' ' LEU . 24.2 mt -64.6 -55.98 16.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.837 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.424 ' CB ' ' O ' ' A' ' 69' ' ' VAL . . . -54.82 -45.95 74.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.86 0.362 . . . . 0.0 111.307 179.693 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 27.0 ttpt -64.77 -53.94 39.14 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.973 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 -61.92 -41.22 97.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.025 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -77.87 -27.1 49.63 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.825 0.345 . . . . 0.0 111.583 -179.617 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 103.22 0.43 47.6 Favored Glycine 0 CA--C 1.521 0.454 0 C-N-CA 120.501 -0.857 . . . . 0.0 114.049 179.08 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.424 ' O ' ' CB ' ' A' ' 64' ' ' ALA . 29.5 m -101.27 173.04 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.962 0.381 . . . . 0.0 110.421 179.63 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -86.68 177.19 48.27 Favored Glycine 0 C--N 1.331 0.297 0 C-N-CA 120.88 -0.676 . . . . 0.0 114.487 -178.072 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 69.3 m -64.52 -15.6 61.17 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.21 -0.495 . . . . 0.0 110.983 178.247 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -110.66 13.25 22.52 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.005 179.638 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -96.21 -163.5 33.34 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.694 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -143.6 156.37 44.56 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.991 0.425 . . . . 0.0 111.341 -179.681 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.404 ' CD2' ' HB3' ' A' ' 63' ' ' LEU . 2.7 mp -118.78 140.01 50.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.062 179.317 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 54.5 p -85.53 176.03 8.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.854 0.359 . . . . 0.0 111.374 -179.512 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -65.72 -48.88 70.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.963 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -58.99 -34.62 72.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.659 179.695 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -74.34 -43.74 55.35 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.08 0.467 . . . . 0.0 110.404 179.373 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.473 ' CE1' ' OG1' ' A' ' 84' ' ' THR . 34.0 t80 -51.58 -57.54 8.83 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.735 179.444 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 9.1 mt -53.43 -44.22 54.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.566 -179.458 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 2.6 tpp180 -59.46 -56.71 18.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.789 -179.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 13.1 p -71.04 -35.89 61.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 N-CA-C 111.873 0.324 . . . . 0.0 111.873 -179.234 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.473 ' OG1' ' CE1' ' A' ' 80' ' ' PHE . 95.1 m -63.37 -45.57 90.54 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.846 0.355 . . . . 0.0 110.714 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.83 -43.55 90.68 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.998 -0.547 . . . . 0.0 112.195 -179.174 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.436 ' O ' ' N ' ' A' ' 90' ' ' GLU . 1.7 m-80 -56.87 -39.5 74.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.768 -179.383 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.515 ' CD1' ' CD2' ' A' ' 96' ' ' PHE . 0.6 OUTLIER -60.24 -41.29 92.86 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.731 0.301 . . . . 0.0 111.409 -179.61 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 4.9 mt -71.96 -46.96 57.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.915 0.388 . . . . 0.0 111.18 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -88.44 -72.6 0.53 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.48 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 86' ' ' ASN . 1.4 tp10 -63.88 -159.77 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.332 179.237 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 7.6 mm100 63.44 -88.73 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.059 179.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 142.98 170.74 13.06 Favored Glycine 0 C--N 1.334 0.457 0 C-N-CA 120.396 -0.907 . . . . 0.0 113.184 179.692 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.57 -56.1 25.57 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 121.113 0.482 . . . . 0.0 111.254 -179.826 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -57.92 -15.34 8.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.533 -0.758 . . . . 0.0 112.442 -178.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -77.22 -44.65 29.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.86 0.362 . . . . 0.0 110.62 179.636 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.515 ' CD2' ' CD1' ' A' ' 87' ' ' LEU . 1.9 t80 -68.67 -43.67 75.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.896 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -67.83 -37.0 81.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.158 -179.669 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 71.5 ttt180 -63.98 -64.33 0.92 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.814 -179.338 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 5.5 p -69.42 -39.41 78.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 N-CA-C 112.756 0.65 . . . . 0.0 112.756 -178.004 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.405 ' HB2' ' O ' ' A' ' 96' ' ' PHE . 0.2 OUTLIER -87.69 -25.9 23.25 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 120.093 -0.643 . . . . 0.0 111.915 -177.623 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.437 ' N ' ' HD2' ' A' ' 102' ' ' PRO . . . -42.59 -60.63 2.78 Favored Glycine 0 CA--C 1.521 0.456 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.715 179.603 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.437 ' HD2' ' N ' ' A' ' 101' ' ' GLY . 30.0 Cg_endo -62.26 -15.5 44.98 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.693 2.262 . . . . 0.0 112.167 179.476 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 89.5 t -82.62 -50.88 15.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.786 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 94.2 t -70.12 -34.61 59.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.959 0.409 . . . . 0.0 110.456 179.214 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 5.5 tttt -54.87 -60.3 3.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.296 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -42.05 -34.39 1.43 Allowed Glycine 0 C--N 1.333 0.401 0 C-N-CA 121.017 -0.611 . . . . 0.0 112.821 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.408 HG22 ' CZ2' ' A' ' 127' ' ' TRP . 26.3 mt -73.61 -40.88 55.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.653 0.263 . . . . 0.0 111.311 -179.751 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 73.7 t -61.59 -33.95 59.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.703 179.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -68.26 -31.98 75.35 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.69 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -80.43 -27.92 37.87 Favored 'General case' 0 C--N 1.332 -0.184 0 O-C-N 122.833 -0.216 . . . . 0.0 111.08 -179.753 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 62.0 m -90.99 -28.63 17.88 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 113.334 0.864 . . . . 0.0 113.334 -177.219 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . 0.419 ' O ' ' HB2' ' A' ' 113' ' ' LYS . 57.5 m-20 -64.26 -73.65 0.12 Allowed 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.011 -0.676 . . . . 0.0 110.201 -179.336 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.419 ' HB2' ' O ' ' A' ' 112' ' ' ASP . 0.0 OUTLIER 83.66 -7.08 1.12 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.435 -178.527 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 11.0 p30 -107.19 -18.92 13.76 Favored 'General case' 0 CA--C 1.529 0.165 0 N-CA-C 110.132 -0.321 . . . . 0.0 110.132 178.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . 77.1 54.14 0.04 OUTLIER 'General case' 0 N--CA 1.462 0.133 0 N-CA-C 112.457 0.54 . . . . 0.0 112.457 178.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 47.6 p-10 -115.62 -16.96 11.25 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 121.003 -0.279 . . . . 0.0 111.239 179.562 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 77.29 13.46 83.57 Favored Glycine 0 CA--C 1.519 0.343 0 C-N-CA 120.864 -0.684 . . . . 0.0 113.021 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -125.2 165.76 17.69 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.03 0.443 . . . . 0.0 111.747 -179.182 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 18.2 mm -112.85 99.95 9.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.778 -179.237 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . 0.413 ' O ' ' N ' ' A' ' 123' ' ' GLU . 2.3 m-80 -83.68 158.37 21.85 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 179.332 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -47.61 -38.13 13.96 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.979 -0.288 . . . . 0.0 111.22 -178.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.33 -28.96 66.69 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 179.205 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 120' ' ' ASN . 12.0 mt-10 -80.99 -44.93 17.39 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 178.678 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . 0.484 ' CE2' HD13 ' A' ' 128' ' ' LEU . 5.6 t80 -55.58 -51.31 67.54 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.978 179.702 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -57.1 -42.26 80.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.079 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -55.61 -33.87 64.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.138 -0.483 . . . . 0.0 112.041 -179.544 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' TRP . . . . . 0.408 ' CZ2' HG22 ' A' ' 107' ' ' ILE . 10.5 t90 -85.84 -41.39 15.05 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 111.922 0.342 . . . . 0.0 111.922 -178.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.484 HD13 ' CE2' ' A' ' 124' ' ' PHE . 0.2 OUTLIER -59.5 -44.54 93.08 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.864 0.364 . . . . 0.0 110.825 -179.585 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 1.7 p -70.05 -25.48 63.57 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.031 -0.532 . . . . 0.0 109.885 178.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.92 -37.44 87.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.37 179.132 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 95.7 mt -86.28 -7.26 58.64 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 -178.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 112.78 27.12 3.9 Favored Glycine 0 CA--C 1.518 0.28 0 C-N-CA 119.954 -1.117 . . . . 0.0 113.88 178.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' MET . . . . . . . . . . . . . 2.2 mmt -102.4 153.13 20.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 117.27 0.535 . . . . 0.0 110.079 179.041 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -80.78 166.03 21.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.888 0.375 . . . . 0.0 111.134 -179.552 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.07 -19.36 64.08 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.042 -0.527 . . . . 0.0 112.082 -179.022 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -84.95 -25.54 27.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.785 0.326 . . . . 0.0 111.46 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -73.42 -42.4 62.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.683 -179.352 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -58.31 -58.81 6.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.956 0.408 . . . . 0.0 110.589 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -47.33 -43.33 22.71 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.058 179.415 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.54 -48.45 55.42 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.65 -179.553 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -61.75 -36.4 80.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.038 0.447 . . . . 0.0 111.15 -179.307 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -52.41 -59.83 3.96 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.205 179.188 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -58.67 -35.03 71.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.465 -0.789 . . . . 0.0 112.452 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -67.16 -38.25 85.15 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 -178.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . 0.458 HG11 ' N ' ' A' ' 146' ' ' ASP . 11.9 p -83.1 -34.54 11.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.71 -178.262 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . 0.458 ' N ' HG11 ' A' ' 145' ' ' VAL . 0.5 OUTLIER -60.84 78.12 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.176 -179.452 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' THR . . . . . 0.443 ' N ' ' O ' ' A' ' 145' ' ' VAL . 5.9 m -58.19 -28.95 65.27 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.817 179.192 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 39.8 p30 -98.41 1.67 47.09 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.548 0.573 . . . . 0.0 112.548 -178.208 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 38.32 39.01 0.68 Allowed Glycine 0 C--N 1.337 0.621 0 C-N-CA 121.237 -0.506 . . . . 0.0 113.558 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 40.4 p-10 -94.15 -5.66 46.62 Favored 'General case' 0 CA--C 1.531 0.226 0 N-CA-C 111.62 0.23 . . . . 0.0 111.62 -179.694 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 90.06 1.96 75.27 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.489 -0.862 . . . . 0.0 113.517 179.224 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 65.1 mt-10 -133.04 134.26 44.14 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 117.499 0.649 . . . . 0.0 110.804 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . 0.441 ' CD2' HG11 ' A' ' 145' ' ' VAL . 12.3 mt -99.88 104.49 16.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.931 179.572 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -89.3 158.83 17.67 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.919 0.39 . . . . 0.0 111.142 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -40.95 -41.24 1.58 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.919 -179.615 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 60.6 t0 -57.01 -56.91 15.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.218 0.532 . . . . 0.0 111.387 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -64.28 -14.91 58.77 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.33 -0.85 . . . . 0.0 112.908 -178.391 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 21.4 mt -70.64 -38.73 73.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.674 0.273 . . . . 0.0 110.82 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.08 -39.51 65.78 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.958 0.409 . . . . 0.0 110.349 179.474 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -52.96 -38.46 62.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.041 179.619 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -64.21 -57.65 8.87 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.839 179.301 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 4.1 t -52.75 -69.2 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.335 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 19.0 mmt85 42.83 30.18 0.23 Allowed 'General case' 0 N--CA 1.462 0.162 0 CA-C-O 120.881 0.372 . . . . 0.0 111.197 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 1.5 t0 68.16 51.68 0.7 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.648 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 64.74 14.93 9.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.001 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 48.87 -175.62 0.01 OUTLIER 'General case' 0 C--N 1.334 -0.077 0 CA-C-O 120.724 0.297 . . . . 0.0 110.606 -179.627 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 167' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -78.68 100.92 7.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.868 0.366 . . . . 0.0 110.452 179.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . 79.71 1.57 87.05 Favored Glycine 0 CA--C 1.521 0.433 0 C-N-CA 120.752 -0.737 . . . . 0.0 113.011 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 169' ' ' ARG . . . . . . . . . . . . . 33.0 ttt-85 64.06 111.64 0.03 OUTLIER 'General case' 0 C--O 1.232 0.143 0 CA-C-N 116.946 0.373 . . . . 0.0 111.044 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 170' ' ' LEU . . . . . 0.426 ' O ' ' CG ' ' A' ' 170' ' ' LEU . 0.4 OUTLIER -105.56 48.93 0.82 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.094 -179.932 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 68.92 30.65 4.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.91 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -103.8 -94.62 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.399 -179.766 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 59.22 155.01 0.02 OUTLIER 'General case' 0 CA--C 1.528 0.102 0 CA-C-O 120.811 0.339 . . . . 0.0 110.969 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 6.4 tt -145.03 -73.61 0.24 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.841 179.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 175' ' ' LEU . . . . . . . . . . . . . 3.7 tp -75.67 115.24 15.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.849 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.408 -1.218 . . . . 0.0 112.465 -179.964 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 500' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 501' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 502' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 63.4 m . . . . . 0 N--CA 1.488 1.45 0 CA-C-O 120.868 0.366 . . . . 0.0 111.472 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 75.4 m -76.54 146.96 38.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.581 179.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -52.26 112.4 0.8 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.621 -179.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 3.0 mp -76.53 -34.34 24.14 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.781 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.58 -33.6 76.04 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -179.013 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.9 t -60.34 -55.0 38.95 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.755 0.312 . . . . 0.0 111.352 -179.433 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -51.46 -44.5 62.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.285 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.29 -48.96 77.59 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.536 -179.449 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.438 HD23 ' CG2' ' A' ' 84' ' ' THR . 51.5 mt -76.55 -32.8 58.42 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.644 0.259 . . . . 0.0 111.442 -179.191 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.62 -53.33 59.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.78 0.324 . . . . 0.0 110.532 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.7 mttp -60.69 -44.09 96.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.381 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -48.24 -29.79 4.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.171 179.654 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -73.96 -61.4 1.86 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.662 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -67.49 -11.75 58.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.182 179.561 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.59 -23.74 59.97 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.744 0.307 . . . . 0.0 110.879 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 2.4 m0 -91.94 -96.25 0.13 Allowed 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.308 -179.637 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 39.55 68.39 0.38 Allowed 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 120.924 0.392 . . . . 0.0 111.514 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.489 ' CE1' ' HB3' ' A' ' 31' ' ' LYS . 0.4 OUTLIER -53.11 -50.99 63.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.645 -179.617 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.5 p30 -96.84 -13.54 22.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.585 -179.628 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.45 45.7 13.6 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.541 -0.838 . . . . 0.0 112.879 179.751 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 16.8 p-10 -93.03 -7.83 44.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 117.234 0.517 . . . . 0.0 111.326 179.64 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 85.28 21.48 54.57 Favored Glycine 0 C--N 1.334 0.434 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.43 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -156.46 173.84 16.31 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.592 0.234 . . . . 0.0 110.406 179.444 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.9 mp -108.31 123.27 48.54 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.671 -0.241 . . . . 0.0 110.949 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -121.01 172.07 8.2 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.353 0.597 . . . . 0.0 111.493 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -68.46 -34.59 76.21 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.793 179.632 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.0 -20.1 66.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.038 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.415 ' O ' ' CE2' ' A' ' 18' ' ' PHE . 0.5 OUTLIER -72.4 -33.21 67.01 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.443 179.802 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -75.24 -39.07 60.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.457 -179.457 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.81 -39.9 95.34 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.636 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.489 ' HB3' ' CE1' ' A' ' 18' ' ' PHE . 0.3 OUTLIER -64.93 -42.71 94.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.673 0.273 . . . . 0.0 110.418 179.629 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -48.7 -61.48 2.01 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.296 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -43.98 -46.53 8.31 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.088 179.553 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -62.55 -51.1 68.7 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.905 179.167 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -52.73 -31.31 37.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.281 179.775 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 65.3 mt -77.72 -55.6 9.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.654 179.252 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -45.11 -44.23 10.32 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 121.084 0.469 . . . . 0.0 110.999 179.701 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -59.82 -42.39 93.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.252 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -58.37 -24.76 60.82 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.894 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 47.5 m-85 -92.16 3.38 55.44 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.466 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 67.86 14.1 64.95 Favored Glycine 0 C--N 1.335 0.479 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.712 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 17.5 mttp -90.96 158.69 16.58 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.389 0.138 . . . . 0.0 110.793 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.46 130.27 40.87 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.699 0.285 . . . . 0.0 110.708 179.69 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.58 -17.0 64.04 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.697 -179.458 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -105.02 13.63 49.1 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.296 -0.954 . . . . 0.0 113.049 -179.274 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.19 -159.79 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.926 0.393 . . . . 0.0 110.795 179.282 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -91.74 -50.23 5.85 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.24 0.543 . . . . 0.0 110.913 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.76 -30.31 67.44 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.33 -0.85 . . . . 0.0 112.525 -178.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 5.2 t -76.02 -43.44 38.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.219 179.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -61.66 -40.92 96.64 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 178.67 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 85.1 m -57.29 -57.87 10.75 Favored 'General case' 0 CA--C 1.522 -0.108 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.213 179.134 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 22.2 tp -51.19 -55.74 16.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.509 -179.507 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.1 mtpt -51.39 -37.77 49.95 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.741 0.305 . . . . 0.0 110.873 179.528 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 17.3 t30 -60.84 -42.81 98.5 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.873 0.368 . . . . 0.0 110.64 179.707 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.65 -37.89 73.78 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.157 179.633 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -62.36 -31.05 71.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.55 179.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -64.07 -52.16 46.96 Favored Glycine 0 N--CA 1.449 -0.455 0 CA-C-N 115.714 -0.675 . . . . 0.0 112.905 -179.624 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -61.37 -27.1 67.18 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.548 -0.834 . . . . 0.0 112.662 -179.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.3 tt -55.64 -38.1 69.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.807 0.336 . . . . 0.0 110.914 -179.426 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -62.2 -39.86 94.16 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.849 179.67 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -41.81 -52.94 3.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.516 -179.669 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -58.38 -35.27 71.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.138 -179.659 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 83.3 mt -66.68 -57.97 6.07 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.867 0.365 . . . . 0.0 111.19 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.408 ' HB3' ' O ' ' A' ' 70' ' ' GLY . . . -51.81 -50.72 60.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 0.0 112.137 179.629 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.97 -49.42 74.78 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.848 0.356 . . . . 0.0 111.47 -179.103 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -60.24 -42.59 95.6 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.83 -179.654 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -76.19 -27.94 57.09 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 116.123 -0.49 . . . . 0.0 112.146 -179.379 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 105.56 0.36 40.07 Favored Glycine 0 CA--C 1.522 0.52 0 C-N-CA 120.615 -0.802 . . . . 0.0 113.785 178.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 35.3 m -102.07 175.56 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 179.482 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.408 ' O ' ' HB3' ' A' ' 64' ' ' ALA . . . -89.17 -179.2 45.6 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.413 -0.899 . . . . 0.0 113.944 -178.546 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 12.3 m -65.38 -13.43 58.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.329 -0.436 . . . . 0.0 111.142 178.158 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -111.22 12.44 21.77 Favored 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 122.187 0.195 . . . . 0.0 111.407 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -94.56 -163.75 35.55 Favored Glycine 0 N--CA 1.446 -0.663 0 C-N-CA 120.274 -0.965 . . . . 0.0 112.194 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -144.17 156.73 44.44 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.279 0.562 . . . . 0.0 112.007 -179.273 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -116.75 132.15 56.77 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.314 179.58 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 29.5 p -83.9 -179.16 7.2 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.628 0.251 . . . . 0.0 110.872 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 60.8 tt0 -71.44 -52.28 19.35 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.701 0.286 . . . . 0.0 111.197 -179.555 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -55.62 -35.07 65.47 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 179.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -75.15 -42.63 55.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.141 178.694 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 36.7 t80 -53.92 -53.92 45.95 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.792 179.417 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 23.5 mt -53.82 -46.64 63.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.536 -179.302 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.7 -53.25 60.17 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 111.873 0.323 . . . . 0.0 111.873 -179.519 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.425 HG11 ' N ' ' A' ' 84' ' ' THR . 14.6 p -72.41 -34.6 49.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.761 0.315 . . . . 0.0 111.33 -179.805 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.438 ' CG2' HD23 ' A' ' 9' ' ' LEU . 31.1 m -64.13 -48.4 76.22 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.364 179.834 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -52.8 -45.35 67.17 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.075 0.464 . . . . 0.0 111.077 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -58.44 -37.86 76.29 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.913 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.7 mt -58.92 -48.35 81.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.296 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 2.9 mp -73.32 -45.09 53.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 120.601 0.239 . . . . 0.0 111.07 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -87.87 -75.47 0.41 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.819 0.342 . . . . 0.0 110.989 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.402 ' O ' ' HB2' ' A' ' 91' ' ' GLN . 4.9 mt-10 -64.13 -161.5 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.648 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.428 ' N ' ' OE1' ' A' ' 91' ' ' GLN . 0.0 OUTLIER 66.91 135.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.809 179.836 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -69.69 157.76 53.45 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.561 -179.693 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.04 -57.78 9.22 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.709 0.29 . . . . 0.0 111.719 -179.256 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.437 ' O ' ' CG ' ' A' ' 98' ' ' ARG . . . -60.43 -13.38 13.19 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.336 0.495 . . . . 0.0 112.336 -179.523 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 37.4 m -73.62 -42.61 61.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.873 0.368 . . . . 0.0 110.82 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -67.93 -44.87 75.86 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.309 179.681 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -65.09 -39.91 93.84 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.67 -0.696 . . . . 0.0 112.141 -179.35 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.437 ' CG ' ' O ' ' A' ' 94' ' ' ALA . 1.5 mmt-85 -62.57 -63.4 1.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -178.241 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 21.6 t -66.92 -38.31 81.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 113.02 0.748 . . . . 0.0 113.02 -177.472 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -88.75 -25.72 22.14 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 119.896 -0.721 . . . . 0.0 112.722 -177.536 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.455 ' N ' ' HD2' ' A' ' 102' ' ' PRO . . . -41.1 -56.71 3.19 Favored Glycine 0 CA--C 1.524 0.647 0 C-N-CA 120.896 -0.668 . . . . 0.0 112.949 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.455 ' HD2' ' N ' ' A' ' 101' ' ' GLY . 57.2 Cg_endo -69.03 -13.74 37.09 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.908 2.406 . . . . 0.0 112.741 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 46.6 t -79.75 -49.95 18.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 C-N-CA 120.436 -0.506 . . . . 0.0 110.454 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 59.3 t -70.53 -34.46 57.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 121.457 0.646 . . . . 0.0 109.67 178.353 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.04 -59.35 4.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.016 -0.993 . . . . 0.0 110.501 179.185 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -44.92 -35.49 4.51 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.906 -0.664 . . . . 0.0 112.35 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 69.0 mt -73.69 -41.67 54.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.606 0.241 . . . . 0.0 111.458 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 46.4 t -62.17 -34.2 62.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.911 0.386 . . . . 0.0 110.945 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -62.64 -36.33 93.11 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.466 -0.873 . . . . 0.0 112.064 179.612 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 1.6 mtm -80.8 -27.6 36.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.871 0.367 . . . . 0.0 110.12 179.507 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 6.5 t -93.98 46.2 1.17 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.062 -178.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -167.38 107.92 0.6 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.254 -0.884 . . . . 0.0 110.371 -179.749 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 1.5 mtpt -94.06 7.77 43.94 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.685 178.08 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -108.66 -24.19 11.46 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.72 0.295 . . . . 0.0 110.785 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . 67.97 59.68 0.44 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.302 -0.408 . . . . 0.0 112.037 179.24 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 27.2 p-10 -114.18 -12.71 12.46 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.777 179.13 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 82.91 4.56 89.97 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.618 -0.801 . . . . 0.0 113.232 179.506 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -121.42 166.0 14.74 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-O 121.273 0.559 . . . . 0.0 111.987 -179.35 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.456 ' CG1' HD12 ' A' ' 158' ' ' LEU . 38.8 mm -111.77 98.99 7.76 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.972 -179.413 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . 0.424 ' O ' ' N ' ' A' ' 123' ' ' GLU . 1.4 m120 -86.01 153.78 21.9 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.738 -0.385 . . . . 0.0 110.053 179.668 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -42.99 -38.9 2.41 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 111.804 0.298 . . . . 0.0 111.804 -178.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 53.2 t0 -69.13 -37.59 78.39 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 179.379 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 120' ' ' ASN . 3.8 mt-10 -73.45 -45.36 54.73 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 178.606 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -54.98 -52.78 62.0 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.354 -179.487 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -54.5 -40.37 68.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.448 -179.48 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -55.57 -33.35 63.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 112.094 -179.332 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 13.3 t90 -86.43 -42.07 13.92 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 111.804 0.298 . . . . 0.0 111.804 -178.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.55 -44.11 84.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.907 0.384 . . . . 0.0 110.691 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -71.19 -21.62 62.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.38 178.753 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -65.14 -36.54 84.59 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.715 179.39 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 5.7 mt -86.1 3.12 44.0 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 -178.739 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 102.54 29.68 5.85 Favored Glycine 0 C--N 1.332 0.338 0 C-N-CA 120.216 -0.992 . . . . 0.0 113.743 178.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' MET . . . . . . . . . . . . . 15.1 mmt -103.07 155.98 18.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.956 0.378 . . . . 0.0 110.29 179.419 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 16.6 t -81.79 168.42 18.03 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.956 0.407 . . . . 0.0 111.475 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.95 -14.74 62.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.014 -0.539 . . . . 0.0 112.165 -179.55 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -89.11 -31.23 18.1 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 111.99 0.366 . . . . 0.0 111.99 -179.361 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.03 -38.66 79.3 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 -178.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -60.23 -59.04 6.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.799 0.333 . . . . 0.0 111.025 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -46.92 -41.73 16.47 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.946 0.403 . . . . 0.0 111.414 179.444 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -69.23 -48.21 62.57 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.004 -179.701 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -64.65 -37.19 86.72 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.975 -0.557 . . . . 0.0 112.04 -179.338 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -55.86 -59.91 4.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.058 0.456 . . . . 0.0 110.631 179.579 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -56.06 -35.05 66.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.961 -179.424 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -66.69 -33.46 75.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.756 -179.194 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . 0.469 ' O ' ' N ' ' A' ' 147' ' ' THR . 48.9 t -83.49 -32.46 9.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 112.314 0.487 . . . . 0.0 112.314 -178.191 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.81 77.73 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.026 0.441 . . . . 0.0 111.149 -179.451 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' THR . . . . . 0.469 ' N ' ' O ' ' A' ' 145' ' ' VAL . 1.3 p -56.84 -35.44 68.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.941 179.764 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 37.9 p30 -95.65 6.4 49.03 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 -178.527 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 39.4 31.44 0.21 Allowed Glycine 0 C--N 1.333 0.416 0 C-N-CA 121.199 -0.524 . . . . 0.0 113.689 179.585 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 25.8 p-10 -87.21 -4.51 59.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.882 0.341 . . . . 0.0 111.518 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 87.53 3.89 80.71 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.434 -0.889 . . . . 0.0 113.162 179.311 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -134.11 134.16 41.92 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 117.242 0.521 . . . . 0.0 110.557 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 36.3 mt -100.56 104.66 16.02 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.45 179.127 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 2.9 p -88.17 168.0 13.13 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 121.199 0.523 . . . . 0.0 112.305 -179.078 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 4.3 mp -48.55 -45.63 37.8 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.798 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -56.16 -58.54 7.51 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.267 -179.803 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -64.08 -17.26 63.23 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.575 -0.739 . . . . 0.0 112.21 -178.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . 0.456 HD12 ' CG1' ' A' ' 119' ' ' ILE . 0.6 OUTLIER -71.83 -70.12 0.35 Allowed 'General case' 0 C--N 1.334 -0.104 0 CA-C-O 120.936 0.398 . . . . 0.0 110.735 179.218 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -42.11 -38.18 1.62 Allowed 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.155 -179.47 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 31.9 m -54.73 -66.25 0.44 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.996 0.427 . . . . 0.0 110.625 179.399 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 161' ' ' ALA . . . . . 0.453 ' CB ' HG23 ' A' ' 145' ' ' VAL . . . -65.05 -29.16 70.03 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.108 179.616 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 162' ' ' VAL . . . . . 0.415 ' CG2' ' O ' ' A' ' 158' ' ' LEU . 84.4 t -52.64 -85.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.456 -179.385 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -114.97 108.77 17.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.043 0.449 . . . . 0.0 111.814 -179.677 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -179.65 40.34 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.635 179.505 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 165' ' ' PHE . . . . . 0.494 ' CD2' ' HG2' ' A' ' 173' ' ' GLU . 25.9 p90 -78.84 108.87 12.61 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-O 121.134 0.492 . . . . 0.0 110.655 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . 0.485 ' O ' ' CG ' ' A' ' 167' ' ' PHE . 12.8 p80 -126.04 89.13 2.97 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.984 179.697 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 167' ' ' PHE . . . . . 0.485 ' CG ' ' O ' ' A' ' 166' ' ' HIS . 28.4 p90 45.01 33.32 1.01 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.491 -179.564 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . 146.86 98.79 0.22 Allowed Glycine 0 C--N 1.335 0.493 0 C-N-CA 120.31 -0.947 . . . . 0.0 113.614 179.442 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 169' ' ' ARG . . . . . 0.406 ' HD3' ' CD2' ' A' ' 170' ' ' LEU . 0.0 OUTLIER -122.22 -164.14 1.14 Allowed 'General case' 0 N--CA 1.463 0.199 0 CA-C-O 120.872 0.368 . . . . 0.0 110.931 179.086 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 170' ' ' LEU . . . . . 0.406 ' CD2' ' HD3' ' A' ' 169' ' ' ARG . 0.0 OUTLIER -111.34 -84.86 0.57 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.609 179.866 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . 0.452 ' O ' ' HB ' ' A' ' 172' ' ' VAL . 3.9 t0 -52.87 -24.29 8.82 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.465 179.573 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 172' ' ' VAL . . . . . 0.452 ' HB ' ' O ' ' A' ' 171' ' ' ASP . 28.6 t 78.95 77.28 0.03 OUTLIER 'Isoleucine or valine' 0 C--O 1.232 0.135 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.053 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 173' ' ' GLU . . . . . 0.494 ' HG2' ' CD2' ' A' ' 165' ' ' PHE . 6.9 mt-10 65.52 178.42 0.2 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.165 179.834 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 11.2 tp -72.29 -60.52 2.19 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.434 179.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 175' ' ' LEU . . . . . . . . . . . . . 3.0 mp -70.62 166.25 21.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.347 179.588 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.991 0 CA-C-O 118.423 -1.209 . . . . 0.0 112.643 179.961 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 500' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 501' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 502' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 6.3 t . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.756 0.313 . . . . 0.0 111.112 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 17.6 p 57.27 21.95 7.2 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.134 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -121.97 -79.28 0.61 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.973 0.416 . . . . 0.0 111.159 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 32.5 mm -77.02 -26.43 15.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.051 179.681 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.21 -44.68 94.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.898 -179.439 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.36 -46.53 89.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.734 0.302 . . . . 0.0 111.293 -179.791 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -56.13 -54.81 40.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.289 -0.414 . . . . 0.0 112.114 -179.007 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.58 -42.76 99.32 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.003 0.371 . . . . 0.0 112.003 -178.395 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.439 ' CD2' HG23 ' A' ' 84' ' ' THR . 5.2 mt -78.8 -30.78 45.65 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.207 0.447 . . . . 0.0 112.207 -178.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -61.18 -63.59 1.24 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.762 0.315 . . . . 0.0 111.365 -179.42 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.401 ' O ' ' N ' ' A' ' 15' ' ' ARG . 3.1 mmmt -49.22 -46.21 45.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.375 -179.335 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.84 -30.87 1.84 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.869 0.366 . . . . 0.0 110.974 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 44.8 t80 -74.61 -58.53 3.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.136 -179.743 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.75 -13.92 62.53 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.003 179.589 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.401 ' N ' ' O ' ' A' ' 11' ' ' LYS . 48.9 ttt85 -73.1 -24.15 60.6 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 111.79 0.293 . . . . 0.0 111.79 -179.448 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 32.8 m0 -98.21 -92.38 0.25 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.153 -179.302 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 39.56 73.72 0.11 Allowed 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 120.945 0.402 . . . . 0.0 111.544 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.449 ' CE2' ' N ' ' A' ' 32' ' ' GLU . 0.2 OUTLIER -53.19 -50.62 64.29 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.288 -179.314 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 46.1 p30 -98.16 -11.61 22.6 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.187 0.44 . . . . 0.0 112.187 -178.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 72.83 41.72 48.46 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.382 -0.913 . . . . 0.0 111.91 -179.615 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 16.6 p30 -90.5 -7.71 52.28 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 111.874 0.324 . . . . 0.0 111.874 -179.301 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 83.73 21.19 58.36 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.368 -0.92 . . . . 0.0 112.333 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -157.2 176.43 12.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.913 0.387 . . . . 0.0 110.967 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.4 mt -114.63 117.13 30.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.55 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -113.74 170.74 8.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.365 0.602 . . . . 0.0 110.821 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.5 ttm180 -68.18 -34.77 76.91 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.527 179.632 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.61 -19.82 66.06 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.259 179.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.38 -29.31 64.79 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 179.661 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -76.93 -36.67 56.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.012 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -64.19 -45.47 88.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.508 179.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 20.6 mmmt -62.35 -41.71 98.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.832 0.349 . . . . 0.0 110.58 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.449 ' N ' ' CE2' ' A' ' 18' ' ' PHE . 2.5 tt0 -50.51 -62.81 1.37 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.273 179.833 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -45.54 -47.04 14.36 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.117 0.484 . . . . 0.0 110.964 179.305 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 49.4 tt0 -63.26 -53.75 47.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.159 179.521 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 15.1 t60 -53.48 -23.44 10.2 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.892 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 60.4 mt -86.37 -49.71 14.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.203 179.386 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -48.13 -42.33 29.01 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.52 178.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -60.46 -42.14 95.58 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.471 179.461 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.13 -25.79 67.24 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.54 179.308 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -90.89 0.37 57.51 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.855 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 69.67 13.32 68.52 Favored Glycine 0 CA--C 1.52 0.36 0 C-N-CA 120.461 -0.876 . . . . 0.0 112.964 179.709 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 13.4 mmtp -90.3 159.61 16.57 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.955 0.407 . . . . 0.0 111.596 -179.594 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.97 130.3 38.23 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.253 179.735 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.0 -14.42 62.95 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.523 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -105.38 14.71 47.11 Favored Glycine 0 C--N 1.332 0.335 0 C-N-CA 120.554 -0.831 . . . . 0.0 113.705 -179.014 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.73 -168.22 0.25 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.816 0.341 . . . . 0.0 111.019 179.35 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -90.27 -47.01 8.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.651 179.243 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -62.35 -25.08 67.71 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.384 -179.592 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.447 HG12 ' N ' ' A' ' 50' ' ' GLN . 9.3 p -76.33 -46.61 32.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 179.442 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.447 ' N ' HG12 ' A' ' 49' ' ' VAL . 9.9 tp-100 -60.12 -40.78 90.93 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 178.744 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 65.9 m -59.75 -56.0 27.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.239 178.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 8.7 tp -52.29 -58.84 5.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.205 -179.494 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 53.7 mtpt -51.07 -41.99 60.27 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.443 0.163 . . . . 0.0 110.676 179.455 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -56.94 -40.4 76.32 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.902 0.382 . . . . 0.0 110.051 179.407 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.02 -36.46 77.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.514 179.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -64.61 -30.26 71.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.867 -179.647 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -65.99 -48.98 61.24 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.316 179.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -63.67 -31.03 79.4 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.519 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.415 HD12 HG23 ' A' ' 103' ' ' VAL . 2.7 tp -58.48 -39.41 79.89 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 111.524 0.194 . . . . 0.0 111.524 -178.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 20.3 t80 -65.29 -37.54 87.47 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.405 0.145 . . . . 0.0 110.767 179.427 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 50.6 t0 -41.88 -45.62 3.75 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 120.857 0.36 . . . . 0.0 111.348 -179.632 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -59.54 -37.45 78.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.087 179.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.405 ' O ' ' HB1' ' A' ' 67' ' ' ALA . 49.9 mt -64.14 -57.93 8.12 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.034 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.423 ' HA ' HG21 ' A' ' 69' ' ' VAL . . . -52.04 -48.86 64.38 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.306 0.484 . . . . 0.0 112.306 -179.837 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.8 ttmt -63.93 -51.19 65.61 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.925 0.393 . . . . 0.0 111.082 -179.618 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 28.5 tp10 -61.4 -42.45 98.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.235 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.405 ' HB1' ' O ' ' A' ' 63' ' ' LEU . . . -77.18 -24.84 51.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.364 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 103.29 -4.3 47.99 Favored Glycine 0 CA--C 1.522 0.469 0 C-N-CA 120.631 -0.795 . . . . 0.0 113.91 178.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.423 HG21 ' HA ' ' A' ' 64' ' ' ALA . 33.6 m -97.21 173.33 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.946 0.373 . . . . 0.0 110.713 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.409 ' O ' ' HB3' ' A' ' 64' ' ' ALA . . . -86.17 177.36 49.1 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.93 -0.653 . . . . 0.0 114.132 -178.575 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.0 -13.21 44.75 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.042 -0.579 . . . . 0.0 110.836 177.862 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -112.41 13.2 20.2 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 116.747 -0.206 . . . . 0.0 111.531 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -94.12 -165.72 36.74 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.548 -0.834 . . . . 0.0 112.672 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.0 m -143.59 155.68 44.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.127 0.489 . . . . 0.0 111.726 -179.265 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.4 mp -119.66 136.94 54.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.696 178.664 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 5.7 p -83.16 -178.18 7.01 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.923 0.392 . . . . 0.0 111.011 -179.745 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -68.07 -48.64 65.01 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.891 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 53.2 mm-40 -58.74 -33.34 70.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.828 179.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -72.55 -42.91 64.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.125 0.488 . . . . 0.0 110.15 179.126 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 76.9 t80 -52.39 -58.28 7.2 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.082 179.596 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 79.2 mt -50.3 -46.65 25.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.531 -179.269 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.7 -52.91 63.48 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.405 -179.833 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 21.5 t -70.35 -35.62 63.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 120.731 0.3 . . . . 0.0 110.927 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.439 HG23 ' CD2' ' A' ' 9' ' ' LEU . 63.3 m -64.31 -48.1 76.89 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.961 0.41 . . . . 0.0 110.391 179.364 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -51.29 -47.52 62.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.013 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 26.2 m120 -61.56 -38.93 89.28 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.824 179.477 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 5.7 mt -58.65 -42.48 88.47 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.601 179.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 17.7 mm -74.91 -50.32 25.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.644 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -85.61 -75.71 0.36 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.018 -179.413 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.03 -163.98 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.697 0.284 . . . . 0.0 110.785 179.714 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 71.39 139.62 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.406 -179.581 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -70.39 156.71 53.42 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.983 -179.347 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -54.83 -53.54 54.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.435 0.636 . . . . 0.0 109.595 179.386 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.71 -10.24 25.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 114.921 -1.036 . . . . 0.0 112.161 179.493 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -73.62 -42.67 61.16 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.802 0.334 . . . . 0.0 110.633 -179.498 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -70.72 -41.06 72.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.066 0.46 . . . . 0.0 110.206 179.253 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.401 ' OD1' HD23 ' A' ' 159' ' ' LEU . 8.5 m-80 -66.17 -39.01 89.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.645 -179.495 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 10.5 mtt180 -65.14 -51.54 60.56 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 -178.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 2.9 t -81.88 -36.27 14.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 112.338 0.496 . . . . 0.0 112.338 -178.316 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 18.7 tp -90.41 -26.1 20.05 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 119.695 -0.802 . . . . 0.0 111.743 -178.481 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.433 ' N ' ' HD2' ' A' ' 102' ' ' PRO . . . -41.93 -54.55 4.34 Favored Glycine 0 CA--C 1.52 0.378 0 C-N-CA 120.985 -0.626 . . . . 0.0 113.118 179.791 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.433 ' HD2' ' N ' ' A' ' 101' ' ' GLY . 57.3 Cg_endo -71.32 -13.31 30.64 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.593 2.195 . . . . 0.0 112.351 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.415 HG23 HD12 ' A' ' 59' ' ' LEU . 31.5 t -81.2 -51.52 15.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.859 0.361 . . . . 0.0 110.711 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 36.2 t -68.91 -33.88 61.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.08 0.467 . . . . 0.0 110.348 179.203 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.99 -51.96 67.48 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.624 179.34 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -47.66 -36.27 12.52 Favored Glycine 0 C--N 1.332 0.329 0 C-N-CA 120.918 -0.658 . . . . 0.0 112.514 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.404 HG22 ' CZ2' ' A' ' 127' ' ' TRP . 52.4 mt -72.21 -40.88 66.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.8 0.333 . . . . 0.0 110.724 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 85.2 t -63.74 -34.54 68.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.077 179.683 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -59.87 -40.54 96.92 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.253 -0.975 . . . . 0.0 111.728 179.692 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -78.71 -24.82 44.73 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 179.463 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 49.2 t -92.31 44.83 1.18 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.132 0.491 . . . . 0.0 111.21 -179.158 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -165.91 108.77 0.78 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.481 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 12.7 mtpp -93.93 1.39 56.33 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.104 178.31 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 45.4 p-10 -104.16 -19.05 14.27 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-O 120.792 0.329 . . . . 0.0 110.601 179.43 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . 69.11 51.12 0.54 Allowed 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 116.207 -0.451 . . . . 0.0 112.03 179.216 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 35.7 p-10 -107.48 -14.07 14.93 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.666 -0.243 . . . . 0.0 111.201 179.422 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 80.23 9.53 86.48 Favored Glycine 0 CA--C 1.52 0.402 0 C-N-CA 120.84 -0.695 . . . . 0.0 113.229 179.479 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 2.8 mm100 -123.48 162.9 21.95 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 117.16 0.48 . . . . 0.0 111.492 -179.421 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 37.7 mm -107.98 99.06 7.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.214 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . 0.442 ' O ' ' N ' ' A' ' 123' ' ' GLU . 7.5 m-20 -86.07 153.22 22.27 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 179.188 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -45.25 -38.27 5.37 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 111.773 0.286 . . . . 0.0 111.773 -178.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -70.49 -30.14 66.85 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 179.413 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 120' ' ' ASN . 8.6 mt-10 -79.95 -46.77 16.11 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 178.571 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . 0.471 ' CG ' HD13 ' A' ' 128' ' ' LEU . 5.8 t80 -56.31 -43.07 78.59 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.93 0.395 . . . . 0.0 110.809 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -58.21 -45.79 87.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.24 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -53.62 -34.24 57.81 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.956 -179.568 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' TRP . . . . . 0.404 ' CZ2' HG22 ' A' ' 107' ' ' ILE . 18.7 t90 -85.16 -37.75 19.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.858 0.361 . . . . 0.0 111.36 -179.035 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.471 HD13 ' CG ' ' A' ' 124' ' ' PHE . 0.8 OUTLIER -62.6 -47.94 81.6 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.916 -179.777 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 76.5 p -70.21 -21.55 63.01 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.18 -0.463 . . . . 0.0 109.916 178.589 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -65.74 -37.85 87.51 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.241 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 16.2 mt -87.04 -0.66 56.99 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 111.914 0.338 . . . . 0.0 111.914 -179.115 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 106.65 30.27 4.38 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.18 -1.01 . . . . 0.0 113.621 178.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' MET . . . . . . . . . . . . . 16.8 mmt -101.98 153.08 20.2 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 179.065 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -81.53 153.8 26.59 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.9 0.381 . . . . 0.0 111.047 -179.409 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 7.6 mttt -56.52 -20.1 18.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.543 -179.643 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -83.91 -21.69 31.81 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.945 0.402 . . . . 0.0 111.16 179.475 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -75.12 -39.43 60.57 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.239 -179.565 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -61.86 -60.72 3.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.983 0.421 . . . . 0.0 110.25 179.577 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -46.66 -45.32 19.17 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.719 179.262 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -69.81 -47.78 61.56 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.932 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -61.78 -41.63 97.97 Favored 'General case' 0 CA--C 1.519 -0.241 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.639 -179.25 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' PHE . . . . . 0.489 ' CD1' HD13 ' A' ' 153' ' ' LEU . 86.1 t80 -51.01 -57.55 8.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.846 179.71 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 29.3 m120 -58.6 -35.94 73.23 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.626 0.602 . . . . 0.0 112.626 -179.668 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -64.45 -41.49 96.52 Favored 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -178.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . 0.456 ' O ' ' N ' ' A' ' 147' ' ' THR . 12.5 t -81.9 -29.21 9.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.214 -0.448 . . . . 0.0 112.014 -177.638 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -61.37 78.12 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.31 0 CA-C-O 121.203 0.525 . . . . 0.0 111.156 -179.625 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' THR . . . . . 0.456 ' N ' ' O ' ' A' ' 145' ' ' VAL . 1.7 t -54.84 -41.81 71.18 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.464 -0.789 . . . . 0.0 112.722 -179.755 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 42.4 p30 -94.3 6.69 47.92 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.489 0.552 . . . . 0.0 112.489 -178.004 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 37.65 39.8 0.62 Allowed Glycine 0 C--N 1.337 0.615 0 C-N-CA 121.19 -0.529 . . . . 0.0 113.398 179.698 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 40.5 p-10 -93.0 -7.07 46.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.605 0.24 . . . . 0.0 111.487 -179.545 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 95.26 -3.59 66.57 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.619 -0.8 . . . . 0.0 113.207 179.58 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -132.71 135.33 45.72 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-N 117.524 0.662 . . . . 0.0 111.46 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . 0.489 HD13 ' CD1' ' A' ' 142' ' ' PHE . 13.3 mt -102.94 100.85 10.83 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.555 179.211 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 19.5 t -88.82 165.79 14.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.065 0.459 . . . . 0.0 111.765 -179.315 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -45.43 -41.74 9.63 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.393 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.23 -60.71 3.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.264 0.554 . . . . 0.0 110.994 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -62.94 -16.52 59.59 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.337 -0.847 . . . . 0.0 112.102 -179.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 1.7 mt -70.49 -67.21 0.51 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.096 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . 0.401 HD23 ' OD1' ' A' ' 97' ' ' ASN . 2.1 pp -50.6 -25.36 4.08 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.139 -179.514 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 51.7 m -53.49 -25.44 16.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.543 179.439 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -65.44 -68.98 0.32 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.917 179.462 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 162' ' ' VAL . . . . . 0.4 ' O ' ' N ' ' A' ' 164' ' ' ASP . 7.4 p -54.7 -25.51 15.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.729 -0.669 . . . . 0.0 112.036 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 30.6 ttm180 -27.23 -42.93 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 -179.109 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . 0.4 ' N ' ' O ' ' A' ' 162' ' ' VAL . 54.4 t0 -173.37 32.96 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 179.599 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 41.95 29.67 0.14 Allowed 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.699 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 78.5 m80 59.12 23.02 11.22 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.857 0.36 . . . . 0.0 111.032 -179.718 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 167' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 58.14 16.83 4.12 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.095 -0.502 . . . . 0.0 112.06 179.3 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 168' ' ' GLY . . . . . 0.438 ' O ' ' CB ' ' A' ' 169' ' ' ARG . . . -156.31 -38.2 0.02 OUTLIER Glycine 0 CA--C 1.517 0.218 0 C-N-CA 120.55 -0.833 . . . . 0.0 112.66 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 169' ' ' ARG . . . . . 0.438 ' CB ' ' O ' ' A' ' 168' ' ' GLY . 27.1 ttp180 84.0 116.3 0.05 OUTLIER 'General case' 0 N--CA 1.467 0.403 0 CA-C-O 121.009 0.433 . . . . 0.0 111.254 179.786 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 170' ' ' LEU . . . . . 0.446 ' CD2' ' N ' ' A' ' 170' ' ' LEU . 0.1 OUTLIER -105.67 -82.19 0.53 Allowed 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.521 -179.715 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 32.8 m-20 -152.29 32.62 0.52 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.646 -179.047 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 59.4 t -108.66 -86.15 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 C-N-CA 121.128 -0.229 . . . . 0.0 111.568 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 65.07 110.83 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.523 0.201 . . . . 0.0 110.764 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -95.63 157.68 15.79 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.757 0.313 . . . . 0.0 110.757 179.702 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 175' ' ' LEU . . . . . . . . . . . . . 28.8 mt 60.36 46.74 9.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.756 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.994 0 CA-C-O 118.316 -1.269 . . . . 0.0 112.202 -179.725 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 500' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 501' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 502' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 2.2 t . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.818 0.342 . . . . 0.0 111.391 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.1 m 69.37 21.61 6.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.191 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -51.78 110.3 0.45 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.971 0.415 . . . . 0.0 111.045 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 4.1 mp -81.11 -29.87 11.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.292 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.95 -34.6 77.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.783 -179.522 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.04 -51.41 69.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.929 0.395 . . . . 0.0 110.879 -179.743 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -53.33 -47.74 69.06 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.258 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.59 -47.95 83.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.567 -179.093 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.2 mt -75.87 -28.99 58.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.546 -178.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.48 -58.85 6.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.817 0.341 . . . . 0.0 110.697 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.418 ' O ' ' N ' ' A' ' 15' ' ' ARG . 7.4 mtpt -55.81 -43.3 76.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.973 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -46.05 -33.85 3.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.192 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 17.5 t80 -73.29 -60.04 2.43 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.019 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.74 -12.78 61.9 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.721 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.418 ' N ' ' O ' ' A' ' 11' ' ' LYS . 4.9 mmm-85 -72.31 -22.31 61.21 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.618 0.247 . . . . 0.0 111.285 -179.245 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 8.0 m0 -101.33 -91.72 0.32 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.592 -0.276 . . . . 0.0 111.042 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 41.15 73.92 0.12 Allowed 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.069 0.461 . . . . 0.0 111.331 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -54.39 -51.68 64.07 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.541 -179.141 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.432 ' OD1' ' N ' ' A' ' 19' ' ' ASP . 9.5 p-10 -96.66 -13.46 22.79 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -179.023 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 75.9 44.35 19.69 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.426 -0.892 . . . . 0.0 112.135 -179.666 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.1 p-10 -93.21 -12.3 30.57 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.631 0.234 . . . . 0.0 111.631 -179.663 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 83.55 21.62 57.81 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.527 -0.844 . . . . 0.0 112.146 -179.59 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -153.77 175.96 12.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.706 0.288 . . . . 0.0 110.338 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -115.43 121.47 42.84 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.831 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -120.64 171.85 8.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.555 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -66.37 -32.34 73.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.384 -179.724 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.69 -20.84 65.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.242 179.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.27 -35.95 71.54 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 179.506 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 47.2 m-85 -77.17 -38.31 51.98 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.88 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -65.48 -42.55 92.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.147 179.504 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.8 tptt -66.04 -42.54 89.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.936 0.398 . . . . 0.0 110.134 179.542 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -50.82 -59.43 4.12 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.286 179.624 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -46.28 -45.74 17.46 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.172 0.51 . . . . 0.0 110.338 179.444 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -62.21 -52.71 62.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.967 179.124 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 9.0 t60 -56.07 -33.3 64.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.497 179.534 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 13.4 mm -71.8 -55.19 14.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.241 179.219 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.424 ' CB ' HG12 ' A' ' 49' ' ' VAL . . . -43.0 -42.09 3.65 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.416 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.6 -37.27 85.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.677 179.5 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -58.66 -34.74 71.56 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 179.3 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -90.23 3.39 53.67 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.745 179.158 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 70.62 -153.5 51.6 Favored Glycine 0 C--N 1.336 0.53 0 C-N-CA 120.981 -0.628 . . . . 0.0 112.629 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 6.2 mtmt 73.4 -157.44 0.08 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.664 0.268 . . . . 0.0 111.415 179.619 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.42 -157.45 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.265 0 CA-C-O 120.83 0.348 . . . . 0.0 111.862 -178.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -140.33 -58.85 0.54 Allowed 'General case' 0 C--O 1.231 0.124 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 178.295 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -90.3 28.52 7.38 Favored Glycine 0 N--CA 1.452 -0.246 0 CA-C-N 114.766 -1.106 . . . . 0.0 111.9 179.183 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.45 -168.33 0.32 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.826 0.346 . . . . 0.0 111.277 179.508 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -83.12 -51.42 7.53 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.053 179.415 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -55.96 -33.34 64.69 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.652 -179.248 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.424 HG12 ' CB ' ' A' ' 37' ' ' ALA . 1.5 t -77.05 -42.79 32.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 179.764 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -61.04 -40.94 95.54 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 178.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 97.2 m -57.99 -56.57 20.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.21 179.55 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 37.3 tp -50.4 -57.05 8.87 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.846 -0.341 . . . . 0.0 110.212 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.7 mtpt -50.1 -36.92 31.5 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.018 0.437 . . . . 0.0 110.173 179.011 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -61.04 -45.81 93.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.564 179.363 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.63 -55.77 10.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.857 179.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -47.44 -29.97 3.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.822 179.781 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -68.05 -52.31 28.81 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 121.009 -0.615 . . . . 0.0 113.127 -179.453 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -54.96 -30.71 54.48 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.831 -179.354 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 7.9 tt -58.12 -33.39 69.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.759 0.279 . . . . 0.0 111.3 -179.44 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -61.89 -44.35 96.97 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.873 0.368 . . . . 0.0 110.37 179.592 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -42.35 -49.81 5.11 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.154 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -58.79 -41.22 86.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.122 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 29.3 mt -64.34 -53.74 43.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.902 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -55.71 -50.58 69.95 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 111.855 0.317 . . . . 0.0 111.855 179.444 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.52 -50.22 72.25 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.91 0.386 . . . . 0.0 111.013 -179.51 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -61.47 -39.88 92.49 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.762 179.643 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -78.27 -26.15 47.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.625 -179.613 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 104.05 0.85 45.02 Favored Glycine 0 CA--C 1.52 0.365 0 C-N-CA 120.69 -0.766 . . . . 0.0 113.968 178.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 31.3 m -102.3 174.22 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 117.158 0.479 . . . . 0.0 110.388 179.552 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -87.7 -179.84 47.63 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.873 -0.68 . . . . 0.0 114.049 -178.686 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.6 m -64.35 -13.04 48.17 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.338 -0.431 . . . . 0.0 111.061 178.231 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 80.8 m-20 -114.03 13.76 18.24 Favored 'General case' 0 C--N 1.333 -0.141 0 N-CA-C 111.703 0.26 . . . . 0.0 111.703 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -94.21 -165.62 36.59 Favored Glycine 0 C--N 1.331 0.264 0 C-N-CA 120.456 -0.878 . . . . 0.0 112.691 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -143.11 155.41 44.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.102 0.477 . . . . 0.0 111.588 -179.515 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -117.53 139.56 50.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.07 179.116 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 69.9 p -83.98 -177.4 6.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.755 0.312 . . . . 0.0 111.159 -179.668 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -71.72 -49.57 38.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.625 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -59.44 -32.35 70.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.562 179.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -72.68 -43.2 63.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.141 0.496 . . . . 0.0 110.098 179.169 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.511 ' CE1' ' CG2' ' A' ' 84' ' ' THR . 23.6 t80 -51.48 -56.7 11.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.811 179.463 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 52.2 mt -54.14 -50.3 55.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.922 -179.464 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.2 ttm180 -56.29 -51.71 67.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.44 -179.387 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 38.5 t -71.99 -39.58 66.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 111.773 0.286 . . . . 0.0 111.773 -179.434 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.511 ' CG2' ' CE1' ' A' ' 80' ' ' PHE . 40.0 p -60.69 -44.35 96.65 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.05 0.452 . . . . 0.0 110.178 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.408 ' HG2' ' NE2' ' A' ' 166' ' ' HIS . 16.6 mt-10 -50.02 -54.44 20.14 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.299 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.414 ' O ' ' N ' ' A' ' 90' ' ' GLU . 11.1 m-20 -57.71 -36.88 72.6 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.294 -179.747 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.6 mt -57.28 -43.03 82.76 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.519 -179.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 3.8 mt -72.8 -53.25 19.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.831 0.348 . . . . 0.0 111.139 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 -88.2 -68.74 0.74 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.176 -179.529 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 86' ' ' ASN . 0.8 OUTLIER -57.08 -164.8 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.878 0.37 . . . . 0.0 111.11 -179.91 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 61.0 -83.96 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.037 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . 0.41 ' N ' ' OG ' ' A' ' 95' ' ' SER . . . 135.16 175.71 13.99 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.993 179.775 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.88 -59.95 4.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.099 0.476 . . . . 0.0 111.243 -179.864 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -57.62 -18.09 18.15 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.708 -0.678 . . . . 0.0 112.139 -179.055 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.41 ' OG ' ' N ' ' A' ' 92' ' ' GLY . 0.0 OUTLIER -78.41 -45.31 22.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.074 0.464 . . . . 0.0 110.674 179.928 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.475 ' CE2' HD21 ' A' ' 100' ' ' LEU . 21.2 t80 -70.46 -40.6 73.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.542 179.716 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -68.34 -35.06 77.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.65 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 5.5 mtm180 -62.75 -56.65 15.65 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -179.199 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 45.4 t -78.81 -36.23 18.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 112.948 0.721 . . . . 0.0 112.948 -177.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.475 HD21 ' CE2' ' A' ' 96' ' ' PHE . 1.6 tp -89.52 -26.06 21.08 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 119.848 -0.741 . . . . 0.0 112.233 -177.879 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -44.73 -59.17 4.43 Favored Glycine 0 CA--C 1.521 0.462 0 C-N-CA 120.642 -0.79 . . . . 0.0 112.682 179.74 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -63.46 -19.04 67.13 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.85 2.367 . . . . 0.0 112.067 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 73.1 t -79.62 -48.18 21.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.184 179.698 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 2.8 t -69.88 -33.93 57.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.948 0.404 . . . . 0.0 110.205 179.27 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.9 -57.17 12.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.476 179.362 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -44.53 -38.48 5.37 Favored Glycine 0 C--N 1.333 0.378 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.116 179.627 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 22.7 mm -74.28 -38.74 48.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.724 0.297 . . . . 0.0 111.237 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 75.8 t -61.81 -35.44 67.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.096 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -71.73 -26.06 73.69 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.473 -0.87 . . . . 0.0 112.514 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 7.9 mtp -80.59 -30.72 36.87 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.363 0.125 . . . . 0.0 110.92 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 47.5 m -86.88 -37.42 17.7 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.772 0.656 . . . . 0.0 112.772 -177.451 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . 0.428 ' HA ' ' HG2' ' A' ' 123' ' ' GLU . 3.6 m-20 -63.45 -71.7 0.16 Allowed 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.286 -0.566 . . . . 0.0 110.052 -179.406 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.421 ' HB2' ' O ' ' A' ' 112' ' ' ASP . 0.3 OUTLIER 81.38 2.21 1.56 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.116 -178.438 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 14.2 p30 -107.94 -21.17 12.93 Favored 'General case' 0 C--O 1.231 0.111 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 178.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . 75.44 45.77 0.13 Allowed 'General case' 0 C--O 1.231 0.124 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.975 179.389 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 16.5 p30 -106.39 -16.37 14.57 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.012 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 81.32 8.07 87.6 Favored Glycine 0 CA--C 1.52 0.353 0 C-N-CA 120.699 -0.762 . . . . 0.0 113.409 179.431 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -123.2 163.85 19.84 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 117.261 0.531 . . . . 0.0 111.813 -179.483 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 42.1 mm -111.7 99.73 9.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.411 -179.041 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . 0.422 ' O ' ' N ' ' A' ' 123' ' ' GLU . 1.1 m-80 -85.69 157.8 20.22 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 110.143 -0.317 . . . . 0.0 110.143 179.439 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . 0.482 ' HA ' ' CD2' ' A' ' 142' ' ' PHE . . . -47.74 -38.72 16.03 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 111.64 0.237 . . . . 0.0 111.64 -178.689 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -70.26 -28.22 65.06 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 179.073 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . 0.428 ' HG2' ' HA ' ' A' ' 112' ' ' ASP . 57.1 mt-10 -82.92 -47.52 11.7 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.818 178.777 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . 0.451 ' CE2' HD13 ' A' ' 128' ' ' LEU . 2.8 t80 -55.81 -51.58 66.96 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.839 0.352 . . . . 0.0 110.856 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . 0.405 ' HA ' ' CB ' ' A' ' 138' ' ' ALA . . . -53.75 -42.48 68.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.747 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -53.84 -33.84 57.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.195 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 23.3 t90 -82.7 -49.52 9.69 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 111.696 0.258 . . . . 0.0 111.696 -179.087 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.451 HD13 ' CE2' ' A' ' 124' ' ' PHE . 0.2 OUTLIER -54.12 -45.9 72.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.883 0.373 . . . . 0.0 110.488 -179.529 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 25.2 p -70.85 -21.02 62.48 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.031 178.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -65.3 -37.49 87.31 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.046 179.491 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 3.2 mt -86.97 -2.08 58.35 Favored 'General case' 0 CA--C 1.529 0.16 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 -178.724 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 109.9 29.63 3.75 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.259 -0.972 . . . . 0.0 113.251 179.317 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' MET . . . . . . . . . . . . . 38.5 mmm -101.93 153.06 20.21 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 179.219 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 56.6 m -83.23 159.79 21.9 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.718 0.295 . . . . 0.0 110.751 179.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 2.2 ttpm? -62.17 -16.77 55.2 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.809 -179.442 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -82.77 -27.51 30.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.048 179.661 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -73.97 -41.91 61.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.344 -179.773 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . 0.405 ' CB ' ' HA ' ' A' ' 125' ' ' ALA . . . -59.26 -57.85 11.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.859 0.361 . . . . 0.0 110.836 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -49.55 -44.04 46.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.096 179.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -70.81 -48.28 54.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.733 -179.451 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -62.3 -34.28 76.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.064 0.459 . . . . 0.0 111.367 -179.207 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' PHE . . . . . 0.482 ' CD2' ' HA ' ' A' ' 121' ' ' ALA . 31.9 t80 -56.95 -59.05 5.63 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.867 179.555 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 12.1 t30 -56.45 -36.27 68.85 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 115.76 -0.654 . . . . 0.0 112.504 -179.055 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -68.49 -27.42 66.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.93 0.395 . . . . 0.0 111.097 -179.395 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . 0.431 ' O ' ' N ' ' A' ' 147' ' ' THR . 44.5 t -84.66 -36.58 11.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.033 -0.53 . . . . 0.0 112.428 -178.699 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.51 78.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.125 0.488 . . . . 0.0 111.667 -179.084 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' THR . . . . . 0.431 ' N ' ' O ' ' A' ' 145' ' ' VAL . 24.0 m -56.34 -35.8 68.04 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 115.6 -0.727 . . . . 0.0 112.497 179.723 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 54.6 p30 -96.45 7.59 46.13 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -178.319 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 42.27 35.27 1.77 Allowed Glycine 0 C--N 1.332 0.358 0 C-N-CA 120.968 -0.634 . . . . 0.0 113.273 179.596 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 31.1 p-10 -91.78 -6.57 51.58 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-O 120.535 0.207 . . . . 0.0 111.414 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 88.2 5.59 76.11 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.497 -0.858 . . . . 0.0 113.374 179.17 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -133.05 134.73 44.75 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 117.269 0.534 . . . . 0.0 110.891 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . 0.427 ' HG ' ' CE2' ' A' ' 142' ' ' PHE . 47.6 mt -97.37 99.54 10.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.113 179.394 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.1 163.36 17.03 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.082 0.468 . . . . 0.0 111.723 -178.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -47.98 -44.3 30.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.496 -179.678 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 33.5 t0 -56.38 -59.63 4.69 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.895 0.378 . . . . 0.0 111.039 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 77.4 mt-10 -65.02 -15.42 62.3 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.975 -0.557 . . . . 0.0 112.343 -179.028 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . 0.419 ' O ' ' CG2' ' A' ' 162' ' ' VAL . 5.0 mt -70.63 -56.03 7.42 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.078 0.465 . . . . 0.0 110.557 179.526 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.88 -40.01 79.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.958 -179.707 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 3.0 p -52.97 -62.37 1.7 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.87 0.367 . . . . 0.0 110.205 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 161' ' ' ALA . . . . . 0.401 ' O ' ' CG1' ' A' ' 172' ' ' VAL . . . -63.58 -56.16 18.11 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.378 179.006 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 162' ' ' VAL . . . . . 0.438 HG11 ' CD2' ' A' ' 174' ' ' LEU . 61.7 t -52.63 135.33 14.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.334 179.772 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 56.93 73.36 0.46 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.088 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -146.74 102.4 3.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.828 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 165' ' ' PHE . . . . . 0.415 ' HA ' ' CG ' ' A' ' 169' ' ' ARG . 28.4 p90 -178.53 143.98 0.28 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.256 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . 0.408 ' NE2' ' HG2' ' A' ' 85' ' ' GLU . 0.7 OUTLIER 179.32 -70.24 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.996 179.797 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 167' ' ' PHE . . . . . . . . . . . . . 43.1 m-85 -76.92 -78.65 0.12 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.661 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -146.32 40.82 1.03 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.258 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 169' ' ' ARG . . . . . 0.415 ' CG ' ' HA ' ' A' ' 165' ' ' PHE . 0.0 OUTLIER -48.22 164.92 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.004 0.43 . . . . 0.0 111.249 -179.793 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -87.42 -158.11 0.43 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.071 -179.789 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -76.43 58.66 1.35 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.856 0.36 . . . . 0.0 111.189 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 172' ' ' VAL . . . . . 0.401 ' CG1' ' O ' ' A' ' 161' ' ' ALA . 82.1 t -107.34 -91.11 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.199 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 63.06 -176.88 0.15 Allowed 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.64 0.257 . . . . 0.0 110.849 -179.839 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 174' ' ' LEU . . . . . 0.438 ' CD2' HG11 ' A' ' 162' ' ' VAL . 0.5 OUTLIER -105.4 -52.04 2.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.356 -179.668 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 175' ' ' LEU . . . . . . . . . . . . . 5.0 mp -117.98 -178.77 3.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.844 0.354 . . . . 0.0 111.199 -179.709 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.33 -1.261 . . . . 0.0 112.363 179.998 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 500' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 501' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 502' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 3.9 p . . . . . 0 N--CA 1.489 1.496 0 CA-C-O 120.566 0.222 . . . . 0.0 111.128 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.6 p -55.63 -177.32 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.581 -0.281 . . . . 0.0 111.024 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -179.4 -80.56 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 121.057 0.456 . . . . 0.0 112.07 -179.519 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 23.0 mt -81.51 -30.06 10.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.712 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.63 -35.34 75.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.541 -179.219 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.408 ' O ' ' N ' ' A' ' 10' ' ' LYS . 3.0 m -60.46 -49.37 77.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.082 0.467 . . . . 0.0 110.867 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.04 -50.79 68.2 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.798 -179.46 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -61.7 -50.09 73.83 Favored 'General case' 0 N--CA 1.463 0.216 0 N-CA-C 111.806 0.299 . . . . 0.0 111.806 -179.038 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.8 mt -73.14 -29.17 62.69 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.34 -179.013 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' A' ' 6' ' ' SER . 0.1 OUTLIER -59.96 -47.74 84.54 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.925 -179.48 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 35.3 mttt -65.3 -46.15 81.53 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.02 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.451 ' CZ ' ' CE2' ' A' ' 165' ' ' PHE . 1.7 mpt_? -47.42 -28.2 2.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.925 179.735 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.49 ' CD1' ' HA ' ' A' ' 77' ' ' GLU . 80.5 t80 -74.88 -62.86 1.4 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.239 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -70.06 -23.76 63.13 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 120.689 0.281 . . . . 0.0 111.19 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 45.5 ttt85 -72.23 -13.93 61.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.55 -179.464 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.429 ' HA ' ' CE3' ' A' ' 16' ' ' TRP . 2.2 m95 -113.34 20.49 16.1 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 111.992 0.368 . . . . 0.0 111.992 -179.564 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.8 81.86 6.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.181 0.515 . . . . 0.0 110.557 179.774 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.469 ' CZ ' ' HB3' ' A' ' 31' ' ' LYS . 0.2 OUTLIER -54.51 -51.89 63.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.033 -179.547 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -97.94 -14.05 20.84 Favored 'General case' 0 CA--C 1.53 0.199 0 N-CA-C 111.752 0.278 . . . . 0.0 111.752 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 74.99 46.32 17.06 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.563 -0.827 . . . . 0.0 112.967 179.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.4 p-10 -96.23 -8.03 34.05 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 117.035 0.418 . . . . 0.0 111.521 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 83.12 18.81 64.07 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.343 -0.932 . . . . 0.0 111.908 -179.362 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -152.7 173.84 14.75 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.854 0.359 . . . . 0.0 110.748 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.3 mt -115.82 120.66 40.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.849 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -119.64 172.4 7.7 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.981 0.42 . . . . 0.0 111.096 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.68 -36.79 78.98 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.211 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.56 -21.92 65.94 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.037 179.463 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -72.77 -33.16 66.13 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.121 179.448 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -75.36 -39.97 58.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.816 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 67.6 mt-10 -63.58 -37.72 88.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.191 179.541 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.469 ' HB3' ' CZ ' ' A' ' 18' ' ' PHE . 2.6 mttt -65.31 -44.59 87.39 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.798 0.332 . . . . 0.0 110.897 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.416 ' O ' HG13 ' A' ' 36' ' ' ILE . 9.8 tt0 -46.72 -63.47 1.01 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.621 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -46.71 -45.45 19.53 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.891 0.376 . . . . 0.0 110.993 179.498 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -63.37 -57.54 10.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.863 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 24.2 t60 -52.7 -29.68 28.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.861 0.362 . . . . 0.0 110.396 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.416 HG13 ' O ' ' A' ' 32' ' ' GLU . 19.8 mt -75.56 -50.99 22.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.34 179.717 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -43.21 -48.31 6.52 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.469 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.5 -35.99 75.19 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 179.077 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.402 ' N ' ' O ' ' A' ' 36' ' ' ILE . . . -61.89 -30.37 70.83 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 178.7 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -93.43 -0.11 56.6 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.632 179.232 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 71.99 -151.64 47.62 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 121.21 -0.519 . . . . 0.0 113.212 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 7.7 tptt 68.22 -99.2 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 122.607 0.363 . . . . 0.0 110.876 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -171.56 134.02 0.82 Allowed 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 121.031 0.443 . . . . 0.0 111.497 179.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.89 -8.86 32.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.923 -0.58 . . . . 0.0 112.25 -179.678 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -104.99 15.26 48.16 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.163 -1.018 . . . . 0.0 113.535 -179.107 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.29 166.3 22.73 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.861 0.362 . . . . 0.0 111.113 179.193 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.18 -47.98 75.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.18 0.514 . . . . 0.0 110.617 179.385 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 90.6 mt-10 -56.31 -31.42 63.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.598 -0.728 . . . . 0.0 112.753 -178.66 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.7 t -76.66 -38.88 31.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 C-N-CA 120.604 -0.439 . . . . 0.0 110.984 -179.46 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -59.72 -40.71 88.93 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 179.064 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 82.8 m -55.7 -59.26 5.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.93 179.107 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 17.4 tp -48.94 -58.54 4.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.884 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 27.2 mtpt -50.39 -42.37 53.48 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.483 0.182 . . . . 0.0 111.414 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -58.7 -41.53 86.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.835 0.35 . . . . 0.0 110.236 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.02 -49.05 63.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.876 179.288 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -52.41 -31.06 32.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.658 179.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -65.83 -51.16 48.58 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.361 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -59.85 -30.74 70.18 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.51 -0.853 . . . . 0.0 111.85 179.62 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.407 HD11 ' O ' ' A' ' 59' ' ' LEU . 12.6 tp -55.64 -32.98 63.64 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.93 0.395 . . . . 0.0 110.452 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -63.39 -39.48 94.63 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.223 179.143 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -43.6 -52.82 6.08 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.695 179.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -56.06 -39.88 72.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.258 -179.703 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 10.8 mt -65.96 -56.53 11.2 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.248 -179.381 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -56.32 -45.9 80.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.576 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.32 -55.98 15.23 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.923 0.392 . . . . 0.0 111.331 -179.714 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -61.14 -40.18 92.85 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.503 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -77.52 -25.29 50.15 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.992 0.425 . . . . 0.0 111.097 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 75.26 35.78 47.33 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.987 -0.625 . . . . 0.0 113.564 178.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 48.1 t -106.98 -80.29 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.516 0.198 . . . . 0.0 111.066 -179.716 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 166.51 157.96 10.74 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.578 -0.82 . . . . 0.0 112.548 -179.571 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.1 m -60.86 -23.48 65.17 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 122.434 0.294 . . . . 0.0 111.436 179.372 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -113.06 14.24 19.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.357 179.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -94.53 -165.21 36.05 Favored Glycine 0 C--N 1.332 0.331 0 C-N-CA 120.4 -0.905 . . . . 0.0 112.395 179.652 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 20.5 p -143.3 155.95 44.6 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.024 0.44 . . . . 0.0 111.934 -179.329 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.8 mp -116.62 136.14 53.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.238 179.111 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 16.6 p -85.17 -177.57 6.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.74 0.305 . . . . 0.0 110.793 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.49 ' HA ' ' CD1' ' A' ' 13' ' ' PHE . 2.4 tt0 -71.36 -47.95 53.19 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.758 -179.609 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.0 -33.07 70.29 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.476 179.691 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -73.46 -42.48 61.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.949 0.404 . . . . 0.0 110.273 179.13 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.417 ' CE1' ' OG1' ' A' ' 84' ' ' THR . 48.5 t80 -53.69 -54.77 33.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.568 179.127 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.401 HD13 ' HG2' ' A' ' 77' ' ' GLU . 9.9 mt -53.86 -51.46 44.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.622 -0.717 . . . . 0.0 112.437 -179.095 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.16 -50.09 75.38 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 111.774 0.287 . . . . 0.0 111.774 -179.233 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 74.7 t -73.13 -37.82 53.64 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.214 0 CA-C-O 120.707 0.289 . . . . 0.0 111.569 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.417 ' OG1' ' CE1' ' A' ' 80' ' ' PHE . 51.8 m -61.15 -46.37 90.82 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.905 0.383 . . . . 0.0 110.37 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -50.24 -49.01 54.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.342 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -59.19 -36.85 76.08 Favored 'General case' 0 C--O 1.231 0.109 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.16 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.2 mt -60.44 -48.98 79.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.089 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 2.6 mp -70.8 -44.49 76.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.183 -179.556 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -88.5 -84.73 0.2 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.908 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -57.23 -162.18 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.619 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 72.01 145.45 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.838 0.351 . . . . 0.0 110.146 -179.652 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -82.35 159.6 39.12 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.641 -0.79 . . . . 0.0 113.075 -179.378 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.05 -52.95 61.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.017 0.436 . . . . 0.0 110.328 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.28 -11.47 32.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.771 -0.65 . . . . 0.0 112.507 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.11 -45.72 39.26 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.121 0.486 . . . . 0.0 110.333 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -69.03 -42.32 76.51 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.544 179.508 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -67.07 -37.48 84.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.663 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 7.3 mtp180 -63.91 -51.39 64.69 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.839 -179.31 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 3.7 p -79.6 -40.98 21.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 -177.116 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 13.7 tp -87.68 -25.08 23.67 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.786 -0.643 . . . . 0.0 112.125 -177.482 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -44.89 -62.73 2.84 Favored Glycine 0 CA--C 1.521 0.426 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.998 179.559 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -60.67 -17.66 50.7 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.655 2.237 . . . . 0.0 112.316 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 20.0 t -79.17 -52.08 15.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.672 -179.061 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 59.1 t -66.27 -30.9 51.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.244 0.545 . . . . 0.0 110.745 179.253 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.44 ' HG2' ' CD2' ' A' ' 155' ' ' LEU . 0.0 OUTLIER -55.81 -55.24 34.8 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.668 179.65 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -46.32 -38.89 9.3 Favored Glycine 0 C--N 1.331 0.262 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.492 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.495 HD11 ' CH2' ' A' ' 127' ' ' TRP . 20.2 mt -71.87 -38.98 66.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 121.037 0.446 . . . . 0.0 110.878 -179.858 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 85.3 t -61.69 -37.68 78.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.905 179.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -69.41 -27.93 73.04 Favored Glycine 0 CA--C 1.52 0.375 0 C-N-CA 120.435 -0.888 . . . . 0.0 112.777 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -80.74 -31.77 35.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.546 0.173 . . . . 0.0 111.052 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 63.6 m -90.74 -21.49 21.55 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 113.058 0.762 . . . . 0.0 113.058 -177.617 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . 0.464 ' O ' ' HB2' ' A' ' 113' ' ' LYS . 24.6 m-20 -68.24 -74.03 0.13 Allowed 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 119.943 -0.703 . . . . 0.0 110.686 -178.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.464 ' HB2' ' O ' ' A' ' 112' ' ' ASP . 3.5 mttm 83.53 -4.18 1.18 Allowed 'General case' 0 C--O 1.232 0.135 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.799 -177.625 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -108.88 -15.64 14.33 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 178.069 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . 71.56 49.23 0.3 Allowed 'General case' 0 C--O 1.231 0.085 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.755 179.41 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 14.1 p-10 -110.11 -15.54 14.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.364 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 78.39 11.48 85.27 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.906 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -123.0 164.19 19.01 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-O 121.092 0.472 . . . . 0.0 111.596 -179.243 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.431 ' O ' ' HB2' ' A' ' 153' ' ' LEU . 40.3 mm -111.25 99.54 8.89 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.315 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.582 -178.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -85.05 158.01 20.57 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 122.326 -0.233 . . . . 0.0 110.424 179.672 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . 0.455 ' HA ' ' CE2' ' A' ' 142' ' ' PHE . . . -48.63 -39.19 23.21 Favored 'General case' 0 C--N 1.334 -0.092 0 CA-C-N 116.66 -0.245 . . . . 0.0 111.515 -178.68 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.3 -28.72 64.32 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 179.055 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -79.4 -48.03 14.7 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 178.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . 0.438 ' CD2' ' CD1' ' A' ' 153' ' ' LEU . 2.1 t80 -57.16 -53.4 58.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.925 179.628 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . 0.427 ' HA ' ' HB3' ' A' ' 138' ' ' ALA . . . -50.2 -45.0 53.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.049 -179.684 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -54.77 -32.08 59.55 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.82 -179.573 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' TRP . . . . . 0.499 ' CH2' HD11 ' A' ' 174' ' ' LEU . 13.6 t90 -83.39 -42.26 17.22 Favored 'General case' 0 N--CA 1.463 0.207 0 N-CA-C 111.763 0.282 . . . . 0.0 111.763 -178.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.34 -45.02 92.54 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.96 0.41 . . . . 0.0 110.696 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -71.93 -21.36 61.63 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.146 179.134 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -65.32 -37.98 88.76 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.936 179.472 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -89.32 -0.16 57.26 Favored 'General case' 0 C--N 1.332 -0.156 0 N-CA-C 112.639 0.607 . . . . 0.0 112.639 -178.499 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 109.0 29.56 4.01 Favored Glycine 0 CA--C 1.519 0.291 0 C-N-CA 119.954 -1.117 . . . . 0.0 113.976 179.013 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' MET . . . . . . . . . . . . . 28.0 mmt -103.67 153.11 21.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 117.139 0.469 . . . . 0.0 110.153 178.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 6.8 p -81.02 163.69 23.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.585 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.82 -21.92 65.19 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.855 -0.338 . . . . 0.0 111.096 -179.545 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -79.81 -26.41 40.52 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.003 179.277 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.39 -38.78 68.38 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.693 -179.34 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . 0.427 ' HB3' ' HA ' ' A' ' 125' ' ' ALA . . . -62.38 -59.71 4.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.0 0.429 . . . . 0.0 110.984 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -44.72 -43.64 8.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.338 179.728 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -69.84 -48.32 59.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.403 -179.429 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -63.04 -40.0 96.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.73 -179.238 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' PHE . . . . . 0.455 ' CE2' ' HA ' ' A' ' 121' ' ' ALA . 24.2 t80 -52.32 -59.62 4.19 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.229 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -56.27 -34.57 66.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.877 -179.619 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 2.1 mm100 -66.09 -35.52 80.73 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.895 -179.288 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . 0.475 ' O ' ' N ' ' A' ' 147' ' ' THR . 12.4 t -83.55 -33.45 9.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 112.671 0.619 . . . . 0.0 112.671 -177.692 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.41 78.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.094 0.473 . . . . 0.0 110.914 -179.406 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' THR . . . . . 0.475 ' N ' ' O ' ' A' ' 145' ' ' VAL . 0.2 OUTLIER -56.38 -32.86 65.17 Favored 'General case' 0 CA--C 1.521 -0.172 0 CA-C-N 115.721 -0.672 . . . . 0.0 112.405 -179.82 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 14.8 p30 -98.66 8.57 44.77 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 111.904 0.335 . . . . 0.0 111.904 -178.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 41.45 37.89 1.9 Allowed Glycine 0 C--N 1.335 0.487 0 C-N-CA 121.107 -0.568 . . . . 0.0 113.123 179.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 33.5 p-10 -94.65 -5.89 44.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.583 0.23 . . . . 0.0 111.552 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 85.51 9.08 79.6 Favored Glycine 0 C--N 1.335 0.518 0 C-N-CA 120.674 -0.774 . . . . 0.0 113.778 178.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -134.71 135.68 42.16 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 117.373 0.587 . . . . 0.0 111.153 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . 0.438 ' CD1' ' CD2' ' A' ' 124' ' ' PHE . 31.4 mt -94.88 103.42 15.29 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.06 179.072 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 37.7 p -90.04 160.09 16.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.726 0.298 . . . . 0.0 111.125 -179.592 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 155' ' ' LEU . . . . . 0.44 ' CD2' ' HG2' ' A' ' 105' ' ' LYS . 0.4 OUTLIER -46.6 -44.02 17.84 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-O 121.048 0.451 . . . . 0.0 110.557 -179.922 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.79 -52.29 65.64 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.507 179.651 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -65.77 -26.33 67.66 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.228 -0.896 . . . . 0.0 112.501 -178.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . 0.411 HD13 ' CG1' ' A' ' 119' ' ' ILE . 43.2 mt -73.17 -69.99 0.39 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.187 179.626 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 3.9 pp -42.2 -45.98 4.27 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.843 -178.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 4.1 m -54.31 -45.91 72.7 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.114 0.483 . . . . 0.0 110.011 179.418 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 161' ' ' ALA . . . . . 0.411 ' HB1' HG11 ' A' ' 145' ' ' VAL . . . -63.48 -29.37 70.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.659 179.795 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 85.2 t -50.86 -61.9 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.259 -179.606 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 6.1 tpp180 -110.61 73.88 0.85 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.764 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -153.03 76.86 1.14 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.835 0.35 . . . . 0.0 111.709 -179.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 165' ' ' PHE . . . . . 0.464 ' CD1' ' N ' ' A' ' 165' ' ' PHE . 0.1 OUTLIER -103.05 -7.25 21.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.46 178.916 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER 55.67 -159.82 0.2 Allowed 'General case' 0 C--N 1.338 0.095 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.733 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 167' ' ' PHE . . . . . 0.51 ' CD1' ' N ' ' A' ' 167' ' ' PHE . 0.7 OUTLIER -76.72 -4.07 41.41 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.694 -0.23 . . . . 0.0 111.232 -179.875 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 168' ' ' GLY . . . . . 0.404 ' C ' ' CG ' ' A' ' 169' ' ' ARG . . . -129.38 -102.61 1.04 Allowed Glycine 0 C--N 1.333 0.385 0 C-N-CA 120.784 -0.722 . . . . 0.0 111.882 179.443 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 169' ' ' ARG . . . . . 0.404 ' CG ' ' C ' ' A' ' 168' ' ' GLY . 0.0 OUTLIER 165.01 138.92 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 120.782 0.325 . . . . 0.0 111.102 179.633 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -109.61 -31.4 7.5 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.984 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . 0.445 ' O ' ' HB ' ' A' ' 172' ' ' VAL . 12.9 t70 -162.46 -84.73 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.639 -0.255 . . . . 0.0 110.733 179.784 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 172' ' ' VAL . . . . . 0.445 ' HB ' ' O ' ' A' ' 171' ' ' ASP . 3.3 p 165.0 80.52 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.232 0.139 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.63 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 49.62 -161.92 0.05 OUTLIER 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 120.795 0.331 . . . . 0.0 110.834 179.28 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 174' ' ' LEU . . . . . 0.499 HD11 ' CH2' ' A' ' 127' ' ' TRP . 0.4 OUTLIER -102.93 24.9 10.02 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.531 179.2 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 175' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -152.74 -165.9 2.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.775 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.386 -1.23 . . . . 0.0 112.511 -179.991 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 500' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 501' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 502' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 47.4 p . . . . . 0 N--CA 1.484 1.273 0 CA-C-O 120.867 0.365 . . . . 0.0 111.178 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 5.7 t -60.98 170.91 1.37 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.749 179.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -171.35 -78.87 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.931 179.675 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.423 ' O ' HG21 ' A' ' 4' ' ' ILE . 38.3 mt -76.91 -27.12 16.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 121.157 0.503 . . . . 0.0 110.61 179.491 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.23 -47.93 82.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.831 -0.622 . . . . 0.0 112.117 -179.678 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.411 ' O ' ' N ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -60.55 -52.65 64.27 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.916 0.389 . . . . 0.0 111.365 -179.377 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -48.69 -54.64 14.01 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.801 -0.636 . . . . 0.0 112.38 -179.12 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 4.0 mmt-85 -61.39 -45.49 94.14 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.227 0.454 . . . . 0.0 112.227 -178.216 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.488 HD21 ' CE2' ' A' ' 80' ' ' PHE . 18.5 mt -76.5 -28.8 56.57 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 111.97 0.359 . . . . 0.0 111.97 -179.227 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.411 ' N ' ' O ' ' A' ' 6' ' ' SER . 0.2 OUTLIER -59.95 -66.22 0.55 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.444 -179.181 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 8.6 mmtm -47.19 -45.3 22.96 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.835 0.35 . . . . 0.0 111.008 -179.505 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 71.9 mmt-85 -49.5 -29.43 6.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.621 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -73.3 -57.14 4.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.669 0.271 . . . . 0.0 111.474 -179.39 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -70.26 -21.36 62.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.218 -179.571 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 19.6 ttt180 -75.05 -15.28 60.64 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.727 0.298 . . . . 0.0 111.26 179.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.465 ' CZ2' ' O ' ' A' ' 176' ' ' GLY . 5.9 m95 -102.36 14.19 32.6 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.775 -179.515 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -80.68 75.14 7.59 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.043 0.449 . . . . 0.0 111.161 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -53.76 -49.13 68.89 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.469 -179.408 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 27.8 p-10 -97.31 -13.3 22.01 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 111.769 0.285 . . . . 0.0 111.769 -179.355 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.16 43.54 20.85 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.377 -0.916 . . . . 0.0 111.592 -179.162 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 20.1 p-10 -93.19 -11.56 32.42 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 111.618 0.229 . . . . 0.0 111.618 -179.359 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 82.32 21.15 61.02 Favored Glycine 0 C--N 1.331 0.262 0 C-N-CA 120.568 -0.825 . . . . 0.0 112.653 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -155.4 176.58 12.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.692 0.282 . . . . 0.0 110.481 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.9 mt -115.85 123.59 48.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.973 0.416 . . . . 0.0 111.042 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -120.45 172.03 8.12 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.43 179.618 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 9.6 ttt-85 -71.05 -31.36 67.77 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.731 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.52 -20.47 65.65 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.573 -0.739 . . . . 0.0 111.512 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.39 -32.88 72.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.859 0.362 . . . . 0.0 110.543 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.403 ' HB3' ' HB3' ' A' ' 56' ' ' PHE . 99.6 m-85 -76.84 -37.43 55.65 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.422 -179.533 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -64.41 -41.07 96.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.68 -179.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.6 mttm -67.09 -43.7 81.87 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.03 0.443 . . . . 0.0 110.382 179.714 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.409 ' O ' HG12 ' A' ' 36' ' ' ILE . 22.8 tt0 -49.94 -63.11 1.21 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.386 179.662 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -46.05 -47.53 16.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.393 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -62.3 -51.77 66.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.304 -0.407 . . . . 0.0 109.956 179.615 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -56.28 -24.41 42.79 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.206 179.112 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.409 HG12 ' O ' ' A' ' 32' ' ' GLU . 7.0 mm -79.69 -51.7 16.01 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.091 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.808 179.457 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -45.69 -47.47 15.15 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.37 -179.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -60.06 -34.62 73.67 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.927 -0.309 . . . . 0.0 110.319 179.164 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.23 -33.67 72.6 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 178.557 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -92.78 1.18 57.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.901 179.129 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 72.58 -147.64 40.69 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.938 -0.649 . . . . 0.0 112.434 -179.498 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.07 -103.19 0.06 Allowed 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 179.44 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -168.99 131.79 1.3 Allowed 'General case' 0 N--CA 1.457 -0.099 0 C-N-CA 120.48 -0.488 . . . . 0.0 112.146 -178.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.21 -11.54 59.45 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.557 179.644 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -99.32 17.39 57.92 Favored Glycine 0 C--N 1.333 0.397 0 C-N-CA 120.575 -0.821 . . . . 0.0 112.937 -179.466 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.65 -166.05 0.13 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.026 0.441 . . . . 0.0 111.296 179.549 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -94.6 -45.3 7.45 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.142 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -63.89 -21.81 66.63 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.486 -179.62 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 8.7 p -76.23 -48.1 28.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 179.502 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -61.0 -41.07 95.82 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 178.551 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 25.4 m -59.55 -55.06 39.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.448 179.412 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 37.1 tp -52.28 -58.24 7.25 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.836 -0.345 . . . . 0.0 110.27 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 7.5 mtpt -51.35 -39.34 56.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.46 -0.337 . . . . 0.0 110.813 179.531 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -59.04 -41.08 86.99 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 179.595 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.97 -46.23 68.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.452 179.064 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.403 ' HB3' ' HB3' ' A' ' 29' ' ' PHE . 2.6 m-85 -53.69 -33.28 54.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.823 179.564 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -63.0 -50.17 65.83 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.634 -0.793 . . . . 0.0 112.454 -179.692 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.417 ' O ' ' HB2' ' A' ' 61' ' ' ASP . . . -59.09 -29.92 66.18 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.539 -0.838 . . . . 0.0 112.688 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.58 -35.49 68.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 122.497 -0.414 . . . . 0.0 110.756 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 33.2 t80 -63.97 -42.94 97.11 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.729 179.514 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.417 ' HB2' ' O ' ' A' ' 58' ' ' GLY . 16.4 m-20 -42.25 -55.21 3.4 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.741 -179.766 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 18.3 t80 -55.64 -36.09 66.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.812 -179.659 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 18.0 mt -66.44 -55.79 14.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.807 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -55.37 -50.36 69.9 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.839 179.472 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 9.8 ttpt -62.11 -51.51 67.62 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.911 0.386 . . . . 0.0 111.098 -179.412 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 23.5 tp10 -61.7 -41.11 97.16 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.825 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -76.12 -27.08 56.94 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.34 -179.507 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 100.59 11.23 41.75 Favored Glycine 0 CA--C 1.519 0.281 0 C-N-CA 120.888 -0.672 . . . . 0.0 113.498 179.161 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 15.9 m -110.72 172.31 2.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.553 0.176 . . . . 0.0 110.554 179.451 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -84.59 176.18 51.04 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.886 -0.673 . . . . 0.0 113.982 -178.688 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.3 m -63.85 -15.13 58.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.396 -0.402 . . . . 0.0 111.005 178.348 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -109.57 15.15 23.11 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.34 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -95.35 -165.01 34.89 Favored Glycine 0 CA--C 1.52 0.378 0 C-N-CA 120.43 -0.891 . . . . 0.0 113.07 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.5 m -143.81 155.93 44.31 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.897 0.379 . . . . 0.0 111.598 -179.25 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.3 mp -119.34 141.66 48.83 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.64 179.376 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 33.2 p -85.98 -172.11 3.92 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 120.9 0.381 . . . . 0.0 111.609 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -77.89 -49.61 13.88 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.991 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -57.07 -32.19 66.0 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.379 179.603 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -72.06 -42.8 65.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.929 0.395 . . . . 0.0 110.114 179.223 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.488 ' CE2' HD21 ' A' ' 9' ' ' LEU . 32.8 t80 -52.1 -56.47 14.22 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.736 179.252 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 10.9 mt -53.6 -50.49 49.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.763 -179.641 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 2.1 tpt180 -58.27 -55.22 37.84 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 111.645 0.239 . . . . 0.0 111.645 -179.598 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 21.3 t -70.35 -41.58 78.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -178.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.404 ' OG1' ' CD1' ' A' ' 80' ' ' PHE . 29.0 m -61.29 -42.91 99.45 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.321 -179.754 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -53.87 -47.5 70.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.055 0.455 . . . . 0.0 111.268 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 35.1 m-20 -58.72 -40.03 82.54 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.892 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.483 HD21 ' CE2' ' A' ' 96' ' ' PHE . 0.3 OUTLIER -58.81 -39.88 82.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.61 179.736 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 28.7 mm -75.56 -50.82 22.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.364 179.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 99.4 m-85 -88.01 -71.8 0.56 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.974 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.23 -161.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.59 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 23.0 mm100 63.05 158.57 0.07 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.805 0.336 . . . . 0.0 110.882 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -89.36 157.42 26.79 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.702 -0.761 . . . . 0.0 113.185 -179.599 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -54.07 -54.24 42.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.983 0.42 . . . . 0.0 110.639 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.25 -10.57 24.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.842 -0.617 . . . . 0.0 112.365 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.38 -41.27 61.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.798 0.332 . . . . 0.0 110.796 -179.698 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.483 ' CE2' HD21 ' A' ' 87' ' ' LEU . 0.1 OUTLIER -68.1 -43.44 78.47 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.391 179.627 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 27.3 t30 -69.48 -34.4 74.29 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.864 179.657 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 5.5 mtt180 -63.17 -58.0 8.68 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.629 -179.485 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 39.2 t -80.68 -35.48 14.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 112.767 0.655 . . . . 0.0 112.767 -178.228 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.457 ' HA ' ' CG2' ' A' ' 103' ' ' VAL . 0.5 OUTLIER -88.34 -26.39 22.25 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 119.613 -0.835 . . . . 0.0 111.806 -178.087 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -41.0 -57.02 3.05 Favored Glycine 0 CA--C 1.522 0.471 0 C-N-CA 121.152 -0.547 . . . . 0.0 113.195 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_exo -66.35 -11.1 30.04 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.716 2.277 . . . . 0.0 112.265 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.457 ' CG2' ' HA ' ' A' ' 100' ' ' LEU . 20.8 t -79.87 -53.62 12.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.424 -179.405 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 98.5 t -68.77 -30.34 46.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.9 0.381 . . . . 0.0 111.105 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -55.25 -53.64 53.47 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.391 179.529 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -48.85 -41.61 28.27 Favored Glycine 0 CA--C 1.519 0.331 0 C-N-CA 120.85 -0.69 . . . . 0.0 112.541 179.53 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 64.0 mt -71.66 -39.85 69.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.757 0.313 . . . . 0.0 111.046 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.424 ' CG1' HD12 ' A' ' 119' ' ' ILE . 36.6 t -63.14 -37.21 78.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.734 179.476 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -66.67 -31.91 79.86 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.37 179.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 75.6 mtp -79.78 -29.71 40.45 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.589 0.233 . . . . 0.0 110.649 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -86.56 -37.6 18.0 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.974 0.731 . . . . 0.0 112.974 -177.179 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . 0.405 ' O ' ' CB ' ' A' ' 113' ' ' LYS . 65.6 m-20 -64.14 -72.16 0.15 Allowed 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.1 -0.64 . . . . 0.0 110.131 -179.348 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.405 ' CB ' ' O ' ' A' ' 112' ' ' ASP . 0.1 OUTLIER 81.85 -4.14 1.54 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.201 -178.638 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . 0.404 ' O ' ' CB ' ' A' ' 115' ' ' ALA . 1.9 p30 -106.34 -23.64 12.48 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 178.552 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . 0.404 ' CB ' ' O ' ' A' ' 114' ' ' ASN . . . 82.2 55.08 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.128 0 N-CA-C 112.785 0.661 . . . . 0.0 112.785 178.819 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 37.7 p-10 -113.98 -18.2 11.79 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 121.151 -0.219 . . . . 0.0 110.862 179.279 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 79.33 11.91 84.44 Favored Glycine 0 CA--C 1.52 0.344 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.77 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 5.4 mm-40 -125.73 160.99 28.33 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.866 0.365 . . . . 0.0 111.643 -179.498 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.424 HD12 ' CG1' ' A' ' 108' ' ' VAL . 37.0 mm -109.44 103.24 15.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.875 -179.35 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -84.34 161.86 20.25 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 179.065 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -50.62 -37.52 40.74 Favored 'General case' 0 N--CA 1.464 0.241 0 C-N-CA 120.912 -0.315 . . . . 0.0 111.63 -178.507 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.88 -28.78 65.93 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 178.649 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . 0.402 ' HG2' ' HA ' ' A' ' 112' ' ' ASP . 5.3 mt-10 -79.88 -48.98 12.6 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.159 178.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -55.27 -52.16 64.31 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.233 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -54.78 -41.3 70.35 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.107 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -55.54 -34.17 64.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.751 -179.67 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 14.3 t90 -84.2 -46.58 11.73 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 -178.212 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.429 ' O ' ' CG ' ' A' ' 133' ' ' MET . 22.5 mt -58.49 -40.42 82.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.946 0.403 . . . . 0.0 110.554 -179.508 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 68.3 p -72.65 -28.49 62.76 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.36 179.388 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.57 -34.34 74.02 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.999 -179.698 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 51.5 mt -85.94 7.17 25.33 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 111.85 0.315 . . . . 0.0 111.85 -179.453 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 99.19 28.01 7.89 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.378 -0.915 . . . . 0.0 113.959 178.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' MET . . . . . 0.429 ' CG ' ' O ' ' A' ' 128' ' ' LEU . 17.3 mmt -98.57 156.81 16.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 117.292 0.546 . . . . 0.0 110.152 179.026 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 29.4 t -81.2 163.28 23.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.892 0.377 . . . . 0.0 111.203 -179.491 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.07 -27.94 69.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.908 -179.231 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -79.86 -22.99 42.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.523 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.1 -41.73 66.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.754 -179.103 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . 0.417 ' HA ' ' CD1' ' A' ' 128' ' ' LEU . . . -64.42 -51.84 61.17 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.529 -179.448 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -50.09 -44.46 51.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.727 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -71.67 -41.96 68.08 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.872 0.368 . . . . 0.0 111.141 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -64.94 -39.79 94.03 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.704 -179.531 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -51.93 -59.33 4.45 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.27 179.193 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 68.3 m-20 -56.46 -35.39 67.86 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.912 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -63.86 -36.93 85.53 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 -179.179 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . 0.468 ' O ' ' N ' ' A' ' 147' ' ' THR . 15.6 t -83.91 -32.8 8.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 112.751 0.649 . . . . 0.0 112.751 -178.302 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.09 77.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.152 0.501 . . . . 0.0 111.634 -178.611 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' THR . . . . . 0.468 ' N ' ' O ' ' A' ' 145' ' ' VAL . 1.3 m -58.03 -33.71 69.28 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.556 -0.747 . . . . 0.0 112.495 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 53.6 p30 -97.54 5.95 48.81 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 -178.692 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 41.1 34.31 0.86 Allowed Glycine 0 C--N 1.335 0.478 0 C-N-CA 121.026 -0.607 . . . . 0.0 113.312 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 6.4 p-10 -90.1 -6.95 54.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.605 0.241 . . . . 0.0 111.571 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 88.82 4.07 76.09 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.53 -0.843 . . . . 0.0 113.35 179.449 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -135.95 137.28 41.14 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-N 117.601 0.7 . . . . 0.0 111.211 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . 0.411 HD23 ' CG1' ' A' ' 145' ' ' VAL . 12.1 mt -101.24 102.46 13.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.96 179.573 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -89.27 166.81 13.54 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-O 121.015 0.436 . . . . 0.0 111.761 -179.721 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 5.0 tt -47.31 -45.63 24.47 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.733 -179.645 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -57.86 -52.15 66.67 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.395 0.617 . . . . 0.0 110.687 179.51 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 157' ' ' GLU . . . . . 0.422 ' O ' ' CG2' ' A' ' 160' ' ' THR . 30.8 mt-10 -64.4 -21.52 66.67 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.95 -1.023 . . . . 0.0 112.893 -178.286 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.91 -30.26 65.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.976 0.417 . . . . 0.0 110.312 179.261 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . 0.418 ' O ' ' CG1' ' A' ' 162' ' ' VAL . 0.5 OUTLIER -75.26 -39.02 60.2 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.063 -179.885 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 160' ' ' THR . . . . . 0.422 ' CG2' ' O ' ' A' ' 157' ' ' GLU . 11.1 t -53.37 -21.02 5.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.193 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -62.37 -60.03 4.15 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.05 0.453 . . . . 0.0 110.33 178.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 162' ' ' VAL . . . . . 0.442 HG11 ' N ' ' A' ' 163' ' ' ARG . 12.1 p -50.94 -25.31 3.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.672 179.796 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 163' ' ' ARG . . . . . 0.442 ' N ' HG11 ' A' ' 162' ' ' VAL . 0.6 OUTLIER -46.16 92.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.515 -179.117 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . 0.427 ' N ' ' O ' ' A' ' 162' ' ' VAL . 3.3 m-20 49.66 70.99 0.43 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.477 179.805 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 165' ' ' PHE . . . . . 0.457 ' CG ' ' HG2' ' A' ' 173' ' ' GLU . 44.9 p90 -88.74 -3.57 58.74 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.543 179.48 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . 0.47 ' O ' ' CD1' ' A' ' 167' ' ' PHE . 1.7 p-80 -100.7 47.95 0.91 Allowed 'General case' 0 C--O 1.231 0.093 0 CA-C-O 120.712 0.291 . . . . 0.0 111.339 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 167' ' ' PHE . . . . . 0.47 ' CD1' ' O ' ' A' ' 166' ' ' HIS . 13.1 m-85 -159.06 -45.5 0.06 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.014 0.435 . . . . 0.0 110.792 179.574 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . 165.49 57.59 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 121.114 -0.565 . . . . 0.0 111.837 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 169' ' ' ARG . . . . . 0.402 ' HB2' ' O ' ' A' ' 164' ' ' ASP . 0.0 OUTLIER -108.81 -58.65 1.99 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.819 0.342 . . . . 0.0 111.307 -179.303 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -158.99 159.37 34.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.953 0.406 . . . . 0.0 110.324 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -50.24 -30.06 10.88 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.179 -179.431 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 4.0 p 173.86 93.75 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.06 179.456 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 173' ' ' GLU . . . . . 0.457 ' HG2' ' CG ' ' A' ' 165' ' ' PHE . 0.0 OUTLIER -30.61 -72.72 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.525 0 O-C-N 123.595 0.56 . . . . 0.0 112.387 179.898 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -172.69 35.22 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.887 0.375 . . . . 0.0 110.508 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 175' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -127.13 71.65 1.33 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.396 179.768 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 176' ' ' GLY . . . . . 0.465 ' O ' ' CZ2' ' A' ' 16' ' ' TRP . . . . . . . . 0 C--O 1.25 1.103 0 CA-C-O 118.248 -1.307 . . . . 0.0 112.365 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 500' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 501' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 502' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 68.0 p . . . . . 0 N--CA 1.485 1.324 0 CA-C-O 120.898 0.38 . . . . 0.0 111.098 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -69.54 152.14 45.17 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.024 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -71.11 -3.1 18.07 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.989 179.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 37.1 mm -79.34 -33.2 15.32 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.135 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.69 -36.95 77.51 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.854 -179.309 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.8 m -61.72 -49.33 76.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.855 0.359 . . . . 0.0 110.882 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.19 -51.31 66.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.609 -179.371 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.31 -41.4 98.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.385 -178.756 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 18.2 mt -76.84 -34.44 57.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.585 0.231 . . . . 0.0 111.515 -179.18 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.1 tmtt? -61.43 -56.74 16.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.52 179.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.448 ' O ' ' N ' ' A' ' 15' ' ' ARG . 6.1 mmtp -56.91 -46.75 81.76 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.564 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -47.91 -36.8 12.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.683 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -73.72 -55.38 6.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.922 0.391 . . . . 0.0 110.817 -179.729 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -68.89 -18.74 64.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.214 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -69.55 -18.08 63.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.79 -0.187 . . . . 0.0 111.162 -179.315 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 6.0 m0 -102.38 -94.63 0.3 Allowed 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 121.196 -0.202 . . . . 0.0 111.09 179.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 41.68 73.0 0.14 Allowed 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 121.102 0.477 . . . . 0.0 110.951 -179.445 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -53.49 -48.11 69.23 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.603 -178.55 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -97.76 -13.79 21.19 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -178.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 78.75 42.38 13.39 Favored Glycine 0 CA--C 1.52 0.369 0 C-N-CA 120.468 -0.872 . . . . 0.0 113.388 179.522 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 44.0 p-10 -93.89 -13.73 26.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 117.096 0.448 . . . . 0.0 111.703 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 87.86 21.31 47.19 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.42 -0.895 . . . . 0.0 112.218 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -155.44 169.96 23.03 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.721 0.296 . . . . 0.0 110.798 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -111.11 121.58 45.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.76 179.553 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -120.66 174.36 6.62 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.108 0.48 . . . . 0.0 110.454 179.66 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.41 ' NH2' ' OG ' ' A' ' 71' ' ' SER . 6.8 ttm180 -67.82 -37.97 82.62 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.198 -179.722 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.0 -20.21 62.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.172 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -68.68 -31.76 71.09 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.191 179.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -77.08 -37.96 53.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.993 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -63.78 -41.5 97.95 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 20.8 mmtt -67.13 -45.45 77.07 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.757 178.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.403 ' O ' HG12 ' A' ' 36' ' ' ILE . 2.1 tt0 -52.11 -52.88 48.67 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.236 179.68 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -51.28 -51.54 53.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.137 0.494 . . . . 0.0 110.609 179.503 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 8.3 tp60 -60.65 -49.86 75.82 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.657 -0.702 . . . . 0.0 110.851 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -51.52 -23.97 4.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.768 -179.549 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.403 HG12 ' O ' ' A' ' 32' ' ' GLU . 8.6 mm -85.01 -52.79 11.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.432 179.688 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -44.65 -43.92 8.64 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 120.84 0.352 . . . . 0.0 111.605 -179.299 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.77 -40.02 90.97 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.179 179.683 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -58.96 -29.81 67.44 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.092 -179.738 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -87.67 3.2 48.75 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.78 179.535 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 46.58 76.3 0.14 Allowed Glycine 0 C--N 1.339 0.716 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.468 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.01 -151.69 0.4 Allowed 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 110.321 -0.251 . . . . 0.0 110.321 -179.514 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.417 ' CB ' ' HB1' ' A' ' 46' ' ' ALA . 3.3 p30 -66.43 -172.98 0.18 Allowed 'General case' 0 CA--C 1.528 0.12 0 CA-C-O 120.785 0.326 . . . . 0.0 111.402 -178.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.456 ' O ' ' CG1' ' A' ' 49' ' ' VAL . . . -138.67 -60.56 0.59 Allowed 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 178.346 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -95.17 24.87 26.84 Favored Glycine 0 CA--C 1.521 0.422 0 CA-C-N 115.168 -0.924 . . . . 0.0 112.411 179.639 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.417 ' HB1' ' CB ' ' A' ' 43' ' ' ASP . . . -71.52 -167.25 0.24 Allowed 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 117.147 0.474 . . . . 0.0 111.82 179.552 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -85.23 -52.56 5.82 Favored 'General case' 0 C--O 1.23 0.076 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.887 179.483 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.436 ' HB3' ' HG2' ' A' ' 110' ' ' MET . 32.6 mm-40 -52.89 -36.27 59.04 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.143 -178.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.456 ' CG1' ' O ' ' A' ' 44' ' ' ALA . 7.6 p -77.36 -40.69 29.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.279 -0.418 . . . . 0.0 109.901 179.399 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.8 tt0 -59.79 -42.49 93.51 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 178.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 3.2 m -57.9 -56.03 27.27 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.41 178.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 13.7 tp -50.85 -60.82 2.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.957 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.1 -37.83 35.73 Favored 'General case' 0 N--CA 1.462 0.159 0 C-N-CA 121.058 -0.257 . . . . 0.0 110.569 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -59.83 -41.98 92.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.784 0.326 . . . . 0.0 110.268 179.232 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.51 -45.64 78.9 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.759 179.497 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -57.74 -31.55 66.57 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.977 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -63.61 -50.63 60.36 Favored Glycine 0 C--N 1.331 0.299 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.559 179.544 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -61.79 -29.41 72.14 Favored Glycine 0 C--N 1.333 0.363 0 C-N-CA 120.564 -0.827 . . . . 0.0 111.993 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 41.0 tp -56.0 -42.62 76.67 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.601 0.239 . . . . 0.0 111.036 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 32.8 t80 -61.19 -38.79 87.82 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.614 -0.266 . . . . 0.0 111.042 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -44.67 -45.63 9.82 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 121.034 0.445 . . . . 0.0 111.025 179.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -59.14 -39.35 82.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.944 179.74 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 93.8 mt -66.52 -56.95 8.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.81 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -53.74 -47.2 70.86 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.308 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.4 ttmt -65.22 -54.2 33.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.44 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -60.86 -41.54 96.1 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 120.822 0.344 . . . . 0.0 110.878 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -77.8 -22.9 49.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.738 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 71.52 51.48 16.34 Favored Glycine 0 CA--C 1.519 0.307 0 C-N-CA 121.057 -0.592 . . . . 0.0 114.082 178.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.4 HG23 ' N ' ' A' ' 70' ' ' GLY . 0.4 OUTLIER -123.69 -79.79 0.25 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 CA-C-N 116.777 0.288 . . . . 0.0 111.038 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.4 ' N ' HG23 ' A' ' 69' ' ' VAL . . . 168.01 157.77 11.43 Favored Glycine 0 CA--C 1.52 0.354 0 C-N-CA 121.071 -0.585 . . . . 0.0 112.104 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.41 ' OG ' ' NH2' ' A' ' 26' ' ' ARG . 37.2 t -63.36 -19.11 64.36 Favored 'General case' 0 C--N 1.33 -0.257 0 O-C-N 122.664 -0.315 . . . . 0.0 111.585 179.29 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 23.6 p30 -114.41 12.51 17.5 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.694 -179.08 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -94.18 -164.18 36.15 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.388 -0.91 . . . . 0.0 112.914 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 85.0 p -142.05 154.7 45.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.82 0.343 . . . . 0.0 111.428 -179.096 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -116.47 144.49 44.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.672 179.446 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 12.4 p -87.05 177.22 7.28 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.009 0.433 . . . . 0.0 111.433 -179.525 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -65.94 -50.48 64.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.138 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -58.93 -26.42 64.36 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.882 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 23.8 mm-40 -71.26 -46.02 61.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.779 0.323 . . . . 0.0 111.122 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.407 ' O ' ' CB ' ' A' ' 84' ' ' THR . 68.4 t80 -52.79 -49.42 65.64 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.063 0.459 . . . . 0.0 110.923 179.713 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 50.8 mt -55.58 -56.17 13.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.532 -179.714 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -55.58 -52.79 62.56 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.74 -179.276 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 15.6 t -71.75 -36.37 58.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 -178.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.407 ' CB ' ' O ' ' A' ' 80' ' ' PHE . 26.0 m -63.43 -43.91 96.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.06 0.457 . . . . 0.0 110.024 179.607 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -50.43 -53.05 32.38 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.471 179.717 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -59.55 -38.7 81.79 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.36 -179.589 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.7 mt -58.06 -48.56 79.74 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.814 0.34 . . . . 0.0 111.008 179.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 6.3 mt -74.51 -37.07 43.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.228 -179.693 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -88.75 -81.63 0.26 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.862 0.363 . . . . 0.0 110.409 179.37 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.409 ' O ' ' HB2' ' A' ' 91' ' ' GLN . 0.4 OUTLIER -62.01 -162.35 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.831 179.819 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.409 ' HB2' ' O ' ' A' ' 90' ' ' GLU . 72.4 mm-40 73.31 134.94 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.059 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -78.2 158.27 45.73 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.462 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -53.01 -51.26 62.22 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.922 0.392 . . . . 0.0 111.08 -179.723 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.76 -13.26 30.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.946 -0.57 . . . . 0.0 112.232 -179.723 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 53.0 m -77.04 -48.59 17.46 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.935 0.398 . . . . 0.0 111.177 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -66.81 -43.07 84.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.921 -179.734 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.415 ' O ' ' N ' ' A' ' 101' ' ' GLY . 6.5 m-20 -68.74 -34.39 75.53 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.702 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 1.7 ttp180 -62.14 -66.58 0.52 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.742 0.306 . . . . 0.0 111.507 -178.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 67.8 t -69.68 -35.12 64.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 112.47 0.544 . . . . 0.0 112.47 -178.236 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -89.22 -26.07 21.41 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 119.587 -0.845 . . . . 0.0 111.901 -178.532 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 97' ' ' ASN . . . -38.6 -63.46 1.0 Allowed Glycine 0 CA--C 1.523 0.557 0 C-N-CA 121.227 -0.511 . . . . 0.0 113.142 179.682 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo -63.84 -9.34 18.5 Favored 'Trans proline' 0 CA--C 1.532 0.416 0 C-N-CA 122.684 2.256 . . . . 0.0 112.83 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 41.2 t -80.08 -54.9 10.02 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 CA-C-O 120.662 0.268 . . . . 0.0 111.022 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.404 HG13 HD11 ' A' ' 158' ' ' LEU . 97.2 t -66.85 -31.66 54.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 121.061 0.457 . . . . 0.0 110.81 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 7.1 mttt -58.82 -47.03 86.22 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.025 178.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -51.87 -40.84 50.58 Favored Glycine 0 C--N 1.334 0.453 0 CA-C-N 115.86 -0.609 . . . . 0.0 112.696 179.726 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 78.1 mt -71.87 -39.47 67.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.992 0.425 . . . . 0.0 110.385 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 13.9 t -64.45 -36.54 77.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.298 179.49 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -63.32 -37.95 95.66 Favored Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.885 -0.674 . . . . 0.0 112.94 -179.496 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' MET . . . . . 0.436 ' HG2' ' HB3' ' A' ' 48' ' ' GLU . 92.0 mtp -79.36 -24.73 42.48 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.712 0.291 . . . . 0.0 110.578 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 78.9 m -98.5 -17.81 18.54 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 113.293 0.849 . . . . 0.0 113.293 -177.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -67.51 103.74 1.4 Allowed 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.291 -0.564 . . . . 0.0 111.408 -178.57 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 23.0 mmtp -87.49 -17.93 31.0 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.057 179.208 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 40.3 p30 -110.69 1.48 17.95 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.768 -0.196 . . . . 0.0 111.342 179.239 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . 41.62 64.46 1.05 Allowed 'General case' 0 N--CA 1.462 0.172 0 N-CA-C 111.914 0.339 . . . . 0.0 111.914 179.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 56.7 p30 -121.81 -8.22 8.95 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 111.647 0.239 . . . . 0.0 111.647 179.24 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 83.19 4.98 89.44 Favored Glycine 0 C--N 1.334 0.447 0 C-N-CA 121.004 -0.617 . . . . 0.0 113.214 179.703 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -123.22 162.71 22.05 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.995 0.426 . . . . 0.0 110.926 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.485 HG23 ' CD1' ' A' ' 124' ' ' PHE . 49.3 mm -105.8 102.15 13.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.386 -179.62 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -84.12 162.35 20.31 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 179.617 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . 0.417 ' HA ' ' CE2' ' A' ' 142' ' ' PHE . . . -53.38 -38.57 63.48 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 121.015 -0.274 . . . . 0.0 111.276 -179.146 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -70.21 -25.49 63.43 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.924 -0.398 . . . . 0.0 109.924 179.235 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -82.54 -46.87 12.83 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.978 -0.379 . . . . 0.0 109.978 178.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . 0.485 ' CD1' HG23 ' A' ' 119' ' ' ILE . 0.8 OUTLIER -56.9 -46.7 81.75 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.872 0.367 . . . . 0.0 111.073 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -59.23 -45.31 91.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.43 -179.596 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -55.31 -32.39 62.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.427 -179.487 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 17.0 t90 -87.85 -41.3 13.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.602 0.239 . . . . 0.0 111.564 -178.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.418 ' O ' ' HB2' ' A' ' 133' ' ' MET . 0.2 OUTLIER -56.64 -42.42 78.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.925 0.393 . . . . 0.0 110.217 179.852 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 12.4 p -70.13 -25.3 63.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.37 179.265 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -66.67 -38.3 86.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.596 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 12.7 mt -81.65 6.41 15.25 Favored 'General case' 0 N--CA 1.464 0.271 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 -177.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 99.77 22.81 11.61 Favored Glycine 0 CA--C 1.518 0.263 0 C-N-CA 120.391 -0.909 . . . . 0.0 113.231 179.051 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' MET . . . . . 0.418 ' HB2' ' O ' ' A' ' 128' ' ' LEU . 7.6 mmt -99.72 156.07 17.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.729 0.265 . . . . 0.0 110.721 179.504 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 1.1 m -82.21 169.17 16.89 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.138 0.494 . . . . 0.0 111.748 -179.515 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 1.8 mmtp -70.07 -18.57 63.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.858 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -89.16 -24.7 22.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.934 0.397 . . . . 0.0 110.953 179.54 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -69.25 -40.95 77.55 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.606 -179.028 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -61.0 -61.05 2.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.817 0.341 . . . . 0.0 111.24 -179.566 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -44.96 -45.16 10.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.118 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.57 -49.28 55.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.86 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -62.07 -40.07 94.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.397 -179.444 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' PHE . . . . . 0.417 ' CE2' ' HA ' ' A' ' 121' ' ' ALA . 55.0 t80 -49.8 -58.92 4.4 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.979 179.347 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -55.91 -38.04 69.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.091 -0.504 . . . . 0.0 112.125 -179.334 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -63.41 -35.2 79.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.974 0.416 . . . . 0.0 111.224 -179.506 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . 0.451 ' O ' ' N ' ' A' ' 147' ' ' THR . 13.2 t -83.72 -38.36 14.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.752 -0.658 . . . . 0.0 112.754 -178.12 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.92 78.31 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.037 0.446 . . . . 0.0 111.51 -179.007 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 147' ' ' THR . . . . . 0.451 ' N ' ' O ' ' A' ' 145' ' ' VAL . 1.9 m -56.84 -29.84 63.23 Favored 'General case' 0 N--CA 1.463 0.208 0 N-CA-C 112.959 0.726 . . . . 0.0 112.959 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -102.6 8.38 39.77 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -178.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 38.14 35.03 0.24 Allowed Glycine 0 C--N 1.339 0.71 0 C-N-CA 121.305 -0.474 . . . . 0.0 113.452 179.546 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 15.6 p-10 -91.53 -4.59 55.27 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 -179.275 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 92.08 -1.03 73.27 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.414 -0.898 . . . . 0.0 113.366 179.251 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -134.67 135.01 41.74 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 117.269 0.535 . . . . 0.0 110.525 179.633 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . 0.42 ' CB ' ' HB ' ' A' ' 119' ' ' ILE . 8.3 mt -93.39 113.13 25.22 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.899 178.841 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.4 157.11 17.77 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.968 -179.223 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 155' ' ' LEU . . . . . 0.409 ' O ' ' HG ' ' A' ' 159' ' ' LEU . 46.1 mt -49.62 -42.91 46.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.404 179.594 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.58 -53.57 54.84 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.39 -179.7 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -63.13 -19.86 64.85 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.648 0.61 . . . . 0.0 112.648 -178.608 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . 0.411 ' O ' ' CG2' ' A' ' 162' ' ' VAL . 62.8 mt -75.05 -69.69 0.46 Allowed 'General case' 0 CA--C 1.53 0.187 0 CA-C-O 121.065 0.46 . . . . 0.0 110.973 179.088 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . 0.409 ' HG ' ' O ' ' A' ' 155' ' ' LEU . 0.7 OUTLIER -41.5 -49.35 3.98 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.648 -179.142 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -52.07 -64.4 0.83 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.889 0.376 . . . . 0.0 110.572 -179.677 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 161' ' ' ALA . . . . . 0.44 ' HB2' ' CG1' ' A' ' 172' ' ' VAL . . . -59.04 -43.13 91.6 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.817 179.259 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 162' ' ' VAL . . . . . 0.411 ' CG2' ' O ' ' A' ' 158' ' ' LEU . 85.6 t -50.85 147.93 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.986 178.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 44.07 29.36 0.33 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.616 179.346 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 33.5 t0 -150.25 101.78 3.02 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.998 0.428 . . . . 0.0 110.79 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 165' ' ' PHE . . . . . 0.425 ' O ' ' CB ' ' A' ' 169' ' ' ARG . 3.2 p90 -101.91 -14.74 17.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.066 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 76.99 53.76 0.04 OUTLIER 'General case' 0 CA--C 1.522 -0.123 0 CA-C-O 120.892 0.377 . . . . 0.0 110.189 -179.513 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 167' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER 49.67 95.7 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.921 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . 63.35 83.88 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.49 -0.862 . . . . 0.0 112.384 -179.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 169' ' ' ARG . . . . . 0.425 ' CB ' ' O ' ' A' ' 165' ' ' PHE . 0.0 OUTLIER 174.01 -171.27 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.089 0.471 . . . . 0.0 111.628 -179.811 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 16.7 tp -148.51 119.16 7.48 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.002 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 34.4 t0 -111.14 -22.23 11.53 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.841 179.505 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 172' ' ' VAL . . . . . 0.463 ' O ' ' CG ' ' A' ' 173' ' ' GLU . 11.0 p -179.05 -37.88 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.972 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 173' ' ' GLU . . . . . 0.463 ' CG ' ' O ' ' A' ' 172' ' ' VAL . 4.4 pt-20 53.84 160.39 0.01 OUTLIER 'General case' 0 CA--C 1.521 -0.143 0 CA-C-N 115.104 -0.953 . . . . 0.0 111.035 -179.556 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -148.39 38.94 0.88 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 -179.624 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 175' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -120.76 -58.02 1.85 Allowed 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.562 179.511 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.418 -1.212 . . . . 0.0 112.703 179.61 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 500' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 501' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 502' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 36.9 mm . . . . . 0 N--CA 1.457 -0.101 0 CA-C-O 120.927 0.394 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.75 -35.98 82.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.972 -179.34 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.0 p -60.7 -49.7 76.45 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.804 0.335 . . . . 0.0 111.37 -179.698 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -56.2 -48.89 75.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.682 -179.366 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.25 -48.21 82.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.486 -178.868 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.8 mt -76.73 -29.09 56.05 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.699 0.285 . . . . 0.0 111.536 -179.335 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.9 tmtt? -61.04 -55.06 37.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.748 0.308 . . . . 0.0 111.137 -179.529 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 44.4 mttp -58.63 -45.39 89.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.927 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.97 -28.14 1.52 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.179 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.419 ' CD2' ' OE1' ' A' ' 77' ' ' GLU . 68.3 t80 -72.69 -58.72 3.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.243 179.699 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.95 -14.42 62.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.909 179.2 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 8.8 mtp180 -73.73 -25.35 60.15 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.684 -0.235 . . . . 0.0 111.127 -179.641 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 56.3 m95 -97.45 -98.29 0.2 Allowed 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.852 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 39.71 73.94 0.11 Allowed 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 120.991 0.424 . . . . 0.0 111.517 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.407 ' CE2' ' N ' ' A' ' 32' ' ' GLU . 0.3 OUTLIER -54.39 -50.97 66.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.344 -179.023 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 18.3 p-10 -97.88 -12.17 22.41 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 111.611 0.226 . . . . 0.0 111.611 -179.683 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 74.6 45.72 21.74 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.575 -0.822 . . . . 0.0 112.325 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 15.6 p-10 -92.15 -10.23 39.56 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.701 0.26 . . . . 0.0 111.701 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 84.91 20.13 58.31 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.488 -0.863 . . . . 0.0 112.19 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.599 ' HB1' ' HB2' ' A' ' 74' ' ' SER . . . -155.26 175.2 14.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.792 0.33 . . . . 0.0 110.678 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -112.67 116.29 29.91 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.796 179.695 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.403 ' O ' ' HB2' ' A' ' 28' ' ' ASP . 13.6 mt-10 -116.2 172.07 7.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.447 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 21.8 ttt180 -69.69 -39.19 77.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.192 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.89 -22.59 49.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 179.503 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.403 ' HB2' ' O ' ' A' ' 25' ' ' GLU . 0.4 OUTLIER -71.42 -28.49 64.03 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.764 179.221 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -77.07 -36.54 55.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.975 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -64.75 -44.68 89.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.043 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.3 mttp -64.42 -37.88 89.09 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.118 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.423 ' O ' HG12 ' A' ' 36' ' ' ILE . 1.9 tm-20 -52.36 -63.64 1.08 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.226 179.475 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -47.0 -48.61 21.72 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.933 0.397 . . . . 0.0 111.039 179.627 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.32 -52.39 63.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.407 179.654 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -54.45 -26.67 32.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.883 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.423 HG12 ' O ' ' A' ' 32' ' ' GLU . 28.8 mm -82.5 -53.36 11.91 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.973 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -43.25 -43.17 4.67 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 121.024 0.44 . . . . 0.0 111.218 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -60.12 -38.72 83.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.535 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -57.36 -26.22 60.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.413 -179.413 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -90.24 6.38 43.11 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.58 0.229 . . . . 0.0 111.45 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 50.83 69.86 1.0 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.436 -0.888 . . . . 0.0 112.24 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.6 mttm -148.3 -152.81 0.46 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 110.149 -0.315 . . . . 0.0 110.149 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -68.8 -166.76 0.08 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.01 0.433 . . . . 0.0 111.562 -179.259 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -140.32 -60.08 0.53 Allowed 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 178.415 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -93.43 22.94 32.45 Favored Glycine 0 N--CA 1.451 -0.311 0 CA-C-N 114.932 -1.031 . . . . 0.0 112.232 179.684 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.24 -159.43 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 117.442 0.621 . . . . 0.0 110.845 179.181 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -89.24 -51.47 5.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.948 0.404 . . . . 0.0 110.388 178.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -51.79 -40.5 60.47 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.708 -179.529 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 43.1 t -76.41 -41.32 35.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 C-N-CA 121.05 -0.26 . . . . 0.0 110.443 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -60.75 -40.71 93.48 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 178.696 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 21.1 m -57.22 -58.83 6.49 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.04 178.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 50.0 tp -50.33 -58.77 4.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.317 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.81 -39.13 52.15 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.894 0.378 . . . . 0.0 110.219 179.129 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -58.98 -43.73 91.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.255 179.493 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.41 -49.94 56.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.055 179.532 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -51.15 -30.9 18.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.983 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -62.59 -51.14 58.26 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.537 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -61.13 -28.55 69.19 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.579 -0.82 . . . . 0.0 112.358 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.741 HD12 HG21 ' A' ' 103' ' ' VAL . 0.6 OUTLIER -56.05 -41.74 75.49 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.874 0.369 . . . . 0.0 110.573 179.885 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 77.6 t80 -60.23 -40.81 91.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.425 179.479 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -45.27 -49.71 12.33 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.441 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -57.22 -39.26 75.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.966 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.458 ' HB3' HD11 ' A' ' 75' ' ' LEU . 80.2 mt -64.73 -54.37 32.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.846 179.58 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -56.0 -42.04 75.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.957 0.408 . . . . 0.0 110.903 179.658 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.7 -57.02 7.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.376 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -60.55 -42.15 95.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.891 -179.653 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.443 ' CB ' ' CD2' ' A' ' 75' ' ' LEU . . . -76.06 -25.98 56.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.974 0.416 . . . . 0.0 111.255 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 75.82 45.8 15.87 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 121.113 -0.565 . . . . 0.0 113.809 178.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 41.7 t -115.99 -78.66 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.762 0.281 . . . . 0.0 111.228 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 166.56 158.22 10.98 Favored Glycine 0 C--N 1.331 0.293 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.333 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 23.6 t -61.72 -21.93 64.93 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.695 0.283 . . . . 0.0 111.107 179.236 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -114.34 12.09 17.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.368 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -92.65 -165.83 38.65 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.564 -0.827 . . . . 0.0 112.271 179.722 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.599 ' HB2' ' HB1' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -141.4 154.14 45.44 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.049 0.452 . . . . 0.0 111.787 -179.155 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.458 HD11 ' HB3' ' A' ' 63' ' ' LEU . 1.3 mt -113.72 140.09 48.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.294 179.318 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 3.0 p -87.13 177.66 7.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.876 0.369 . . . . 0.0 111.1 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.419 ' OE1' ' CD2' ' A' ' 13' ' ' PHE . 2.3 tt0 -65.61 -50.83 63.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.188 179.663 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.53 -29.61 66.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.405 179.513 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.446 ' O ' HG22 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -72.74 -43.89 62.34 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.936 0.398 . . . . 0.0 110.576 179.335 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.681 ' O ' HG23 ' A' ' 84' ' ' THR . 6.9 t80 -52.63 -56.53 14.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.836 179.407 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 49.7 mt -54.02 -51.63 44.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.715 -179.592 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 7.6 ttt85 -56.56 -51.36 68.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.52 -179.528 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.446 HG22 ' O ' ' A' ' 79' ' ' GLN . 16.7 m -72.3 -39.93 64.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 -179.331 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.681 HG23 ' O ' ' A' ' 80' ' ' PHE . 36.7 p -61.15 -44.41 97.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.901 0.381 . . . . 0.0 110.194 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -49.71 -51.91 35.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.163 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.418 ' O ' ' N ' ' A' ' 90' ' ' GLU . 1.1 m-20 -60.1 -38.3 82.55 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.162 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.2 mt -58.7 -45.65 89.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.985 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.404 HG12 ' O ' ' A' ' 84' ' ' THR . 4.9 mm -73.35 -43.76 55.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.912 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -90.13 -78.33 0.37 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.889 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.418 ' N ' ' O ' ' A' ' 86' ' ' ASN . 0.3 OUTLIER -57.32 -162.12 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.897 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 66.88 147.64 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.646 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -79.96 155.53 38.85 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.794 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -52.62 -53.8 41.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.128 0.49 . . . . 0.0 110.168 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -63.08 -11.13 17.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.926 179.492 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 4.3 m -74.78 -43.97 51.99 Favored 'General case' 0 C--N 1.334 -0.089 0 CA-C-O 120.816 0.341 . . . . 0.0 111.074 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -68.41 -42.04 79.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.087 0.47 . . . . 0.0 110.25 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 43.7 t30 -67.25 -34.18 76.89 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.151 179.595 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 12.6 mmm-85 -63.7 -61.4 2.33 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.115 -0.493 . . . . 0.0 112.101 -179.42 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 10.5 t -76.75 -36.09 26.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 N-CA-C 113.008 0.744 . . . . 0.0 113.008 -177.772 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.826 HD13 ' HB ' ' A' ' 103' ' ' VAL . 0.2 OUTLIER -88.05 -27.62 21.88 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 119.708 -0.797 . . . . 0.0 111.558 -178.203 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.465 ' N ' ' HD2' ' A' ' 102' ' ' PRO . . . -43.48 -57.87 4.25 Favored Glycine 0 CA--C 1.522 0.518 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.848 179.58 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.465 ' HD2' ' N ' ' A' ' 101' ' ' GLY . 31.8 Cg_endo -64.58 -17.95 61.22 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.551 2.167 . . . . 0.0 112.261 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.826 ' HB ' HD13 ' A' ' 100' ' ' LEU . 44.4 t -81.05 -51.64 15.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 C-N-CA 120.786 -0.366 . . . . 0.0 110.452 179.715 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.811 HG21 HD22 ' A' ' 159' ' ' LEU . 4.4 t -69.59 -36.7 72.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.286 179.035 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.19 -58.04 9.32 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.697 179.561 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -42.91 -32.68 1.49 Allowed Glycine 0 C--N 1.333 0.409 0 C-N-CA 120.918 -0.658 . . . . 0.0 112.549 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 15.9 mt -74.57 -38.92 46.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.767 0.318 . . . . 0.0 110.853 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.724 HG21 ' CD2' ' A' ' 155' ' ' LEU . 46.3 t -63.7 -35.71 73.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.694 179.519 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -58.52 -42.29 95.88 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.118 179.656 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -79.4 -23.36 43.31 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 179.53 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 8.5 t -94.62 43.95 1.1 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.192 0.52 . . . . 0.0 111.346 -178.828 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -166.56 108.62 0.71 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.47 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.77 4.81 53.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.04 178.338 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 17.5 p30 -107.99 -19.58 13.46 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-O 120.801 0.334 . . . . 0.0 110.719 179.383 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . 65.67 61.44 0.68 Allowed 'General case' 0 C--N 1.334 -0.081 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.929 179.316 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 58.2 p30 -115.27 -14.0 11.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.34 179.604 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 81.25 8.83 86.77 Favored Glycine 0 CA--C 1.521 0.419 0 C-N-CA 120.838 -0.696 . . . . 0.0 113.077 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -125.17 164.26 20.65 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.024 0.44 . . . . 0.0 111.608 -179.634 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.693 HG13 HD11 ' A' ' 158' ' ' LEU . 35.8 mm -110.89 102.4 13.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.642 -179.302 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 120' ' ' ASN . . . . . 0.406 ' O ' ' N ' ' A' ' 123' ' ' GLU . 2.8 m-20 -85.08 158.16 20.51 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 179.332 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -47.42 -38.29 13.1 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 111.573 0.212 . . . . 0.0 111.573 -178.748 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -69.48 -26.44 64.56 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 110.024 -0.361 . . . . 0.0 110.024 179.284 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 120' ' ' ASN . 42.4 mt-10 -81.39 -46.29 14.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.056 178.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 124' ' ' PHE . . . . . 0.529 ' CE2' HD11 ' A' ' 128' ' ' LEU . 1.9 t80 -57.25 -49.31 76.45 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.0 0.428 . . . . 0.0 111.071 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.425 ' HA ' ' CB ' ' A' ' 138' ' ' ALA . . . -55.36 -46.2 76.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.064 -179.612 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -54.48 -32.82 58.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.613 -179.612 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 14.2 t90 -82.94 -43.72 16.14 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 111.813 0.301 . . . . 0.0 111.813 -179.047 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.529 HD11 ' CE2' ' A' ' 124' ' ' PHE . 0.3 OUTLIER -60.37 -40.55 91.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.087 -179.327 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 129' ' ' THR . . . . . 0.421 ' HA ' ' O ' ' A' ' 133' ' ' MET . 0.2 OUTLIER -72.52 -27.08 62.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.058 0.456 . . . . 0.0 109.918 179.05 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -65.53 -37.93 88.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.732 179.362 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 31.9 mt -85.49 -6.28 59.21 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 112.215 0.45 . . . . 0.0 112.215 -178.385 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 112.11 26.88 4.18 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.213 -0.994 . . . . 0.0 113.769 179.015 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 133' ' ' MET . . . . . 0.421 ' O ' ' HA ' ' A' ' 129' ' ' THR . 60.6 mmm -102.62 153.09 20.44 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 117.074 0.437 . . . . 0.0 110.054 179.118 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.04 164.28 23.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.761 0.315 . . . . 0.0 111.204 -179.396 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -65.38 -26.34 67.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.381 -179.357 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -80.38 -24.47 39.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.199 179.713 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -72.32 -41.22 66.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.625 -179.23 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 138' ' ' ALA . . . . . 0.425 ' CB ' ' HA ' ' A' ' 125' ' ' ALA . . . -59.32 -55.56 33.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.967 0.413 . . . . 0.0 110.923 -179.762 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -49.32 -41.92 40.01 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.52 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.34 -48.76 54.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.99 -179.3 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 141' ' ' ALA . . . . . 0.717 ' O ' HG23 ' A' ' 145' ' ' VAL . . . -63.5 -36.64 84.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.887 0.375 . . . . 0.0 111.733 -179.031 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 73.9 t80 -54.75 -60.16 3.73 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.01 179.59 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -55.07 -35.73 64.85 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.908 -0.587 . . . . 0.0 112.152 -178.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.75 -30.64 70.91 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 111.811 0.3 . . . . 0.0 111.811 -179.266 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 145' ' ' VAL . . . . . 0.717 HG23 ' O ' ' A' ' 141' ' ' ALA . 19.7 t -83.82 -35.45 11.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 -178.333 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -61.5 78.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.125 0.488 . . . . 0.0 111.493 -179.078 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 147' ' ' THR . . . . . 0.444 ' N ' ' O ' ' A' ' 145' ' ' VAL . 65.0 m -56.08 -33.32 64.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.53 -0.759 . . . . 0.0 112.524 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -99.05 7.51 45.86 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.467 0.543 . . . . 0.0 112.467 -178.462 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 41.38 41.2 2.94 Favored Glycine 0 C--N 1.335 0.481 0 C-N-CA 120.919 -0.657 . . . . 0.0 113.027 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 42.8 p30 -98.41 -7.61 28.38 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 111.799 0.296 . . . . 0.0 111.799 -179.376 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 90.43 2.78 72.85 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.485 -0.864 . . . . 0.0 113.62 179.126 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -132.95 134.48 44.57 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 117.548 0.674 . . . . 0.0 110.824 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 0.472 ' HA ' HD23 ' A' ' 153' ' ' LEU . 12.7 mt -101.97 104.33 15.01 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.553 179.588 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.26 162.09 15.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.387 -179.536 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 155' ' ' LEU . . . . . 0.724 ' CD2' HG21 ' A' ' 108' ' ' VAL . 0.3 OUTLIER -41.63 -40.72 2.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.552 -179.821 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.4 -60.85 3.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.07 0.462 . . . . 0.0 111.049 179.723 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -64.46 -14.09 55.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.89 -0.596 . . . . 0.0 112.253 -179.145 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 158' ' ' LEU . . . . . 0.693 HD11 HG13 ' A' ' 119' ' ' ILE . 10.1 mt -71.29 -60.1 2.41 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.943 0.401 . . . . 0.0 110.957 179.738 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 0.811 HD22 HG21 ' A' ' 104' ' ' VAL . 0.5 OUTLIER . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.005 -179.701 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 42.1 mt . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.81 0.338 . . . . 0.0 111.453 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.437 ' HA ' ' NE ' ' A' ' 8' ' ' ARG . . . -61.85 -40.47 95.46 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.203 -0.453 . . . . 0.0 112.211 -179.083 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.69 -49.34 77.89 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.984 0.421 . . . . 0.0 111.149 -179.674 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -51.97 -54.28 31.55 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.94 -179.372 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.437 ' NE ' ' HA ' ' A' ' 5' ' ' ALA . 0.4 OUTLIER -63.06 -43.73 97.78 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.23 0.456 . . . . 0.0 112.23 -178.606 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.552 HD13 HG23 ' A' ' 81' ' ' ILE . 85.4 mt -76.35 -36.6 58.13 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 -178.906 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.99 -55.61 32.67 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.785 0.326 . . . . 0.0 111.056 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.409 ' O ' ' N ' ' A' ' 15' ' ' ARG . 32.2 mtmt -57.69 -45.41 85.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.136 -179.715 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -48.11 -31.02 5.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.482 -179.774 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -73.31 -60.86 2.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.969 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -68.36 -17.84 64.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.84 179.676 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.409 ' N ' ' O ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -73.41 -16.64 61.32 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.665 0.269 . . . . 0.0 111.113 179.915 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 41.9 m0 -103.16 -98.38 0.3 Allowed 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 116.68 -0.236 . . . . 0.0 110.992 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 40.84 78.23 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 120.813 0.34 . . . . 0.0 111.879 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.43 ' CE2' ' HB3' ' A' ' 31' ' ' LYS . 0.2 OUTLIER -55.93 -50.35 70.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.825 -179.106 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.402 ' OD1' ' N ' ' A' ' 19' ' ' ASP . 11.9 p-10 -96.2 -13.99 23.06 Favored 'General case' 0 CA--C 1.53 0.208 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 -179.221 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 78.95 42.53 12.37 Favored Glycine 0 CA--C 1.518 0.27 0 C-N-CA 120.449 -0.881 . . . . 0.0 112.678 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 39.1 p-10 -93.82 -8.18 41.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.859 0.33 . . . . 0.0 111.664 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 81.42 22.15 60.96 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.461 -0.876 . . . . 0.0 112.14 -179.565 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.646 ' HB1' ' HB3' ' A' ' 74' ' ' SER . . . -156.2 171.82 19.53 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.6 0.238 . . . . 0.0 110.496 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.799 ' HB3' HD12 ' A' ' 75' ' ' LEU . 0.9 OUTLIER -110.89 121.07 44.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.783 0.325 . . . . 0.0 110.512 179.615 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -120.42 172.87 7.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 7.0 ptt-85 -70.53 -35.36 73.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.843 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.72 -21.55 64.6 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.134 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -69.11 -29.98 68.17 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.894 0.378 . . . . 0.0 109.984 179.576 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.408 ' HB3' ' CG ' ' A' ' 56' ' ' PHE . 20.7 m-85 -76.94 -35.32 57.36 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.346 179.48 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -65.75 -42.53 90.82 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.573 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.43 ' HB3' ' CE2' ' A' ' 18' ' ' PHE . 15.8 mmtt -66.22 -44.46 83.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.824 0.345 . . . . 0.0 110.283 179.614 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.41 ' HA ' ' CZ ' ' A' ' 18' ' ' PHE . 3.7 tp10 -49.13 -64.02 0.93 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.416 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.433 ' HB3' ' HG3' ' A' ' 53' ' ' LYS . . . -44.19 -46.67 8.99 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.01 0.433 . . . . 0.0 111.048 179.404 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.09 -54.13 42.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.36 179.34 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 37.8 t-80 -52.22 -36.01 50.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.58 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 57.4 mt -72.61 -53.16 19.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.667 179.56 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -44.69 -44.18 8.92 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.046 179.616 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 -59.56 -40.69 88.11 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.526 179.35 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.3 -26.31 66.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.567 179.491 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -92.14 0.92 57.47 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.421 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 66.58 17.54 66.9 Favored Glycine 0 C--N 1.333 0.386 0 C-N-CA 120.512 -0.852 . . . . 0.0 112.488 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.7 mmmp? -92.61 157.51 16.46 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.907 0.384 . . . . 0.0 111.207 -179.686 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -72.78 127.24 31.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.516 179.546 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.588 ' O ' HG11 ' A' ' 49' ' ' VAL . . . -68.84 -14.18 62.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.467 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -103.7 12.64 53.69 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.356 -0.926 . . . . 0.0 113.73 -178.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.15 -164.01 0.05 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 117.282 0.541 . . . . 0.0 110.846 179.272 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -92.48 -46.36 7.68 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.239 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.0 -25.15 66.68 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.868 -179.151 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.588 HG11 ' O ' ' A' ' 44' ' ' ALA . 11.0 p -76.22 -44.43 36.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 120.868 0.366 . . . . 0.0 110.494 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.497 ' N ' HG13 ' A' ' 49' ' ' VAL . 1.8 tt0 -60.67 -41.6 95.4 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 179.011 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 59.1 m -59.95 -54.83 41.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.061 178.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 58.5 tp -51.27 -61.08 2.45 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.159 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.433 ' HG3' ' HB3' ' A' ' 33' ' ' ALA . 5.4 mtpm? -51.38 -39.44 57.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.739 0.304 . . . . 0.0 110.443 179.172 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -58.5 -41.67 85.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.636 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.43 -50.41 52.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.985 0.422 . . . . 0.0 110.741 179.422 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.408 ' CG ' ' HB3' ' A' ' 29' ' ' PHE . 0.1 OUTLIER -53.04 -28.54 24.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.682 179.786 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -63.04 -52.23 49.41 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.485 -0.864 . . . . 0.0 112.327 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -60.83 -26.37 65.13 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.571 -0.823 . . . . 0.0 112.574 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.725 HD23 HG21 ' A' ' 103' ' ' VAL . 1.0 OUTLIER -56.01 -43.8 78.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.735 0.303 . . . . 0.0 110.593 -179.819 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.415 ' CE1' ' HB2' ' A' ' 64' ' ' ALA . 56.6 t80 -59.28 -40.98 87.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.159 179.575 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -43.94 -48.69 8.59 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.902 0.382 . . . . 0.0 110.858 179.617 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 55.9 t80 -59.65 -39.73 85.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.465 179.369 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 14.6 mt -65.06 -55.32 19.54 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.644 179.688 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.548 ' HB1' ' O ' ' A' ' 69' ' ' VAL . . . -55.38 -48.49 74.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.59 179.505 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 4.6 mtmt -64.25 -51.54 63.1 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.88 0.371 . . . . 0.0 110.602 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -61.57 -41.5 97.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.797 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -75.31 -26.06 58.37 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.069 0.461 . . . . 0.0 111.385 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 102.65 1.57 49.74 Favored Glycine 0 CA--C 1.519 0.314 0 C-N-CA 120.803 -0.713 . . . . 0.0 113.921 178.866 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.548 ' O ' ' HB1' ' A' ' 64' ' ' ALA . 33.7 m -103.46 175.6 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 117.13 0.465 . . . . 0.0 110.576 179.697 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -84.61 175.6 50.79 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.916 -0.659 . . . . 0.0 114.086 -178.265 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.91 -15.66 59.59 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 115.099 -0.55 . . . . 0.0 110.915 178.198 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -111.57 13.0 21.31 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 122.573 0.349 . . . . 0.0 111.678 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -93.05 -164.42 37.64 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.437 -0.887 . . . . 0.0 112.703 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.646 ' HB3' ' HB1' ' A' ' 23' ' ' ALA . 58.2 m -141.61 153.74 44.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.926 0.394 . . . . 0.0 111.224 -179.173 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.799 HD12 ' HB3' ' A' ' 24' ' ' LEU . 0.1 OUTLIER -115.86 141.19 48.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.45 179.664 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 7.8 p -85.58 178.67 7.31 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.828 0.347 . . . . 0.0 111.082 -179.683 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -71.45 -49.42 41.67 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.526 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -57.53 -31.69 66.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.077 179.37 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.482 ' O ' HG22 ' A' ' 83' ' ' VAL . 6.8 mt-30 -73.79 -41.37 62.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.03 178.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -53.11 -51.53 61.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.355 178.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.552 HG23 HD13 ' A' ' 9' ' ' LEU . 59.9 mt -55.91 -52.07 53.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.484 -179.818 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.77 -52.0 67.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.785 -179.612 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.482 HG22 ' O ' ' A' ' 79' ' ' GLN . 18.5 m -72.02 -42.26 68.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 N-CA-C 112.022 0.379 . . . . 0.0 112.022 -179.332 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.453 ' N ' HG23 ' A' ' 83' ' ' VAL . 83.2 m -61.16 -46.75 89.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.022 0.439 . . . . 0.0 110.374 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -50.88 -47.93 60.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.85 -0.613 . . . . 0.0 111.411 -179.819 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.404 ' OD1' ' HB3' ' A' ' 90' ' ' GLU . 0.6 OUTLIER -59.04 -37.69 77.6 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.425 -179.733 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.8 mt -60.45 -47.97 83.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.389 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 28.0 mm -71.0 -45.07 74.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.509 -179.39 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 -89.2 -78.29 0.36 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.72 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.404 ' HB3' ' OD1' ' A' ' 86' ' ' ASN . 0.0 OUTLIER -62.58 -158.53 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.701 179.856 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 66.42 142.79 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.935 0.397 . . . . 0.0 110.677 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -76.17 155.85 46.39 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.959 -0.638 . . . . 0.0 113.185 -179.455 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -55.15 -52.93 61.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.164 0.506 . . . . 0.0 110.434 179.776 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.63 -11.96 20.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.541 -0.754 . . . . 0.0 112.164 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.4 t -74.86 -42.99 56.85 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.728 0.299 . . . . 0.0 110.897 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.771 ' CE1' HD22 ' A' ' 100' ' ' LEU . 0.2 OUTLIER -68.72 -43.05 76.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.071 179.896 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 20.8 m-20 -66.36 -37.04 84.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.653 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.411 ' O ' ' HD3' ' A' ' 102' ' ' PRO . 7.8 ttm180 -63.66 -64.66 0.84 Allowed 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.305 0.483 . . . . 0.0 112.305 -179.033 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.679 HG12 HD22 ' A' ' 59' ' ' LEU . 38.2 t -70.55 -35.75 62.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 112.917 0.71 . . . . 0.0 112.917 -177.889 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.771 HD22 ' CE1' ' A' ' 96' ' ' PHE . 5.1 tp -87.95 -28.12 21.68 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 119.893 -0.723 . . . . 0.0 111.65 -178.149 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -44.95 -56.84 5.7 Favored Glycine 0 CA--C 1.519 0.322 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.45 179.565 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.411 ' HD3' ' O ' ' A' ' 98' ' ' ARG . 23.5 Cg_exo -62.77 -20.15 70.37 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.721 2.28 . . . . 0.0 111.845 179.425 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.725 HG21 HD23 ' A' ' 59' ' ' LEU . 6.3 t -78.37 -51.69 17.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.046 -179.545 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.818 ' CG1' HD13 ' A' ' 158' ' ' LEU . 8.5 t -68.2 -32.83 57.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 120.981 0.42 . . . . 0.0 110.929 179.606 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -56.64 -53.39 58.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.692 179.467 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -47.26 -36.13 10.05 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.746 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.427 ' O ' ' HG3' ' A' ' 110' ' ' MET . 23.9 mt -74.44 -39.0 47.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.802 0.334 . . . . 0.0 111.226 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.72 HG13 HD11 ' A' ' 119' ' ' ILE . 35.1 t -60.81 -37.18 75.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.742 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -57.89 -42.13 94.55 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.429 179.712 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' MET . . . . . 0.427 ' HG3' ' O ' ' A' ' 107' ' ' ILE . 4.1 ptp -79.66 -26.55 41.01 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.804 0.335 . . . . 0.0 110.505 179.734 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 65.2 m -93.48 45.3 1.16 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.15 0.5 . . . . 0.0 111.309 -178.767 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 34.0 t0 -165.9 107.91 0.75 Allowed 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.585 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -93.55 -3.03 53.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.149 178.724 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -102.04 -13.26 17.61 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-O 120.596 0.236 . . . . 0.0 110.877 179.528 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . 61.99 56.96 2.2 Favored 'General case' 0 C--N 1.332 -0.155 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 179.15 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 47.4 p30 -112.83 -12.64 13.29 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 121.022 -0.271 . . . . 0.0 111.202 179.173 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 79.73 8.65 87.54 Favored Glycine 0 C--N 1.334 0.431 0 C-N-CA 120.82 -0.705 . . . . 0.0 113.346 179.328 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -121.4 165.19 15.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.032 0.444 . . . . 0.0 111.447 -179.51 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.72 HD11 HG13 ' A' ' 108' ' ' VAL . 41.1 mm -111.54 99.69 9.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.74 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 120' ' ' ASN . . . . . 0.44 ' O ' ' N ' ' A' ' 123' ' ' GLU . 21.1 m-20 -85.72 160.27 19.57 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 179.506 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.495 ' HB2' ' CE2' ' A' ' 142' ' ' PHE . . . -47.97 -36.84 13.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.731 0.3 . . . . 0.0 110.839 -179.188 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -71.14 -28.58 64.38 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.013 179.002 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 120' ' ' ASN . 45.5 mt-10 -81.73 -48.96 10.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.159 179.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -56.7 -51.74 67.62 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.799 0.333 . . . . 0.0 111.083 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.421 ' HA ' ' CB ' ' A' ' 138' ' ' ALA . . . -53.13 -43.36 66.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.673 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -57.38 -34.11 68.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.588 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' TRP . . . . . 0.461 ' O ' ' HB3' ' A' ' 130' ' ' ALA . 13.5 t90 -81.87 -41.74 20.55 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 111.765 0.283 . . . . 0.0 111.765 -178.776 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.466 HD12 ' HA ' ' A' ' 138' ' ' ALA . 50.6 mt -61.0 -42.17 97.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.95 0.405 . . . . 0.0 110.869 -179.725 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 129' ' ' THR . . . . . 0.412 HG22 ' O ' ' A' ' 133' ' ' MET . 40.3 p -71.45 -19.64 62.2 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.311 179.001 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 130' ' ' ALA . . . . . 0.461 ' HB3' ' O ' ' A' ' 127' ' ' TRP . . . -63.78 -36.53 84.2 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.933 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -87.82 -5.49 58.59 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.62 -0.264 . . . . 0.0 111.572 -179.435 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 111.83 33.81 2.15 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.204 -0.998 . . . . 0.0 113.233 179.522 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 133' ' ' MET . . . . . 0.412 ' O ' HG22 ' A' ' 129' ' ' THR . 9.8 mmt -101.75 153.01 20.18 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 179.149 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 52.6 p -82.72 149.74 27.12 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.618 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 1.6 tptt -56.09 -25.34 45.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.929 -179.096 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -75.65 -25.99 57.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.917 0.389 . . . . 0.0 111.027 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -73.34 -33.94 65.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.674 -179.388 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 138' ' ' ALA . . . . . 0.466 ' HA ' HD12 ' A' ' 128' ' ' LEU . . . -60.99 -59.34 5.53 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.037 0.446 . . . . 0.0 110.742 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -47.57 -43.49 25.43 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.24 179.551 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.42 -51.2 31.2 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.751 -179.382 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 141' ' ' ALA . . . . . 0.59 ' O ' HG23 ' A' ' 145' ' ' VAL . . . -63.07 -36.04 82.25 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.115 0.483 . . . . 0.0 111.188 -179.187 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 142' ' ' PHE . . . . . 0.495 ' CE2' ' HB2' ' A' ' 121' ' ' ALA . 71.9 t80 -54.42 -59.96 3.99 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.02 179.446 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 40.0 t30 -56.83 -34.31 67.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.477 -0.783 . . . . 0.0 112.912 -178.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -67.3 -33.28 74.96 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 112.25 0.463 . . . . 0.0 112.25 -178.702 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 145' ' ' VAL . . . . . 0.59 HG23 ' O ' ' A' ' 141' ' ' ALA . 13.3 t -84.76 -33.07 7.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 N-CA-C 112.626 0.602 . . . . 0.0 112.626 -178.153 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.15 78.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.026 0.441 . . . . 0.0 111.368 -179.36 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 147' ' ' THR . . . . . 0.436 ' N ' ' O ' ' A' ' 145' ' ' VAL . 0.2 OUTLIER -56.56 -34.7 67.37 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.629 -0.714 . . . . 0.0 112.56 179.468 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 148' ' ' ASN . . . . . 0.417 ' ND2' ' OE2' ' A' ' 157' ' ' GLU . 30.5 p30 -94.5 7.43 45.61 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 -178.36 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 40.95 38.57 1.71 Allowed Glycine 0 C--N 1.336 0.535 0 C-N-CA 121.096 -0.573 . . . . 0.0 112.969 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 30.2 p-10 -94.99 -7.37 39.98 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 111.644 0.239 . . . . 0.0 111.644 -179.466 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 87.75 6.83 75.89 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.452 -0.88 . . . . 0.0 113.431 179.167 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -135.06 135.19 41.08 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 117.507 0.654 . . . . 0.0 111.149 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 0.552 HD21 ' CG1' ' A' ' 145' ' ' VAL . 6.9 mt -100.62 101.56 12.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.12 178.708 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 12.6 p -87.57 169.96 11.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.157 0.503 . . . . 0.0 111.977 -178.871 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 155' ' ' LEU . . . . . 0.556 ' CD2' HG21 ' A' ' 108' ' ' VAL . 58.5 mt -48.61 -46.47 39.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.161 -179.775 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.78 -61.01 2.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.298 -179.716 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 157' ' ' GLU . . . . . 0.417 ' OE2' ' ND2' ' A' ' 148' ' ' ASN . 17.9 mt-10 -65.41 -14.91 61.94 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.948 -0.569 . . . . 0.0 112.362 -179.014 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 158' ' ' LEU . . . . . 0.818 HD13 ' CG1' ' A' ' 104' ' ' VAL . 0.4 OUTLIER -70.17 -66.88 0.54 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.941 0.4 . . . . 0.0 110.485 179.596 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 0.447 ' CB ' HD23 ' A' ' 100' ' ' LEU . 2.3 pp . . . . . 0 C--N 1.331 -0.198 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.015 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 15.7 mm . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.858 0.361 . . . . 0.0 111.457 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.12 -29.66 70.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.804 -179.429 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.7 m -61.3 -43.29 99.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.839 0.352 . . . . 0.0 111.224 -179.724 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.31 -45.86 89.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.555 -179.403 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.14 -43.62 98.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.475 -179.033 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 46.0 mt -77.41 -36.58 53.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.666 0.27 . . . . 0.0 111.452 -179.15 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.74 -57.46 12.92 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.786 0.326 . . . . 0.0 110.878 -179.797 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.413 ' O ' ' N ' ' A' ' 15' ' ' ARG . 5.8 mttt -56.25 -45.44 80.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.91 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.415 ' NH2' ' CZ2' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -47.63 -30.39 3.65 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.916 0.389 . . . . 0.0 111.011 179.896 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -74.11 -58.98 2.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.646 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -69.38 -14.38 62.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.155 179.571 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.413 ' N ' ' O ' ' A' ' 11' ' ' LYS . 0.2 OUTLIER -73.03 -21.94 60.72 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.601 0.239 . . . . 0.0 111.138 -179.626 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.415 ' CZ2' ' NH2' ' A' ' 12' ' ' ARG . 6.4 m0 -99.0 -93.84 0.25 Allowed 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 116.631 -0.258 . . . . 0.0 111.108 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 40.33 73.35 0.12 Allowed 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 121.013 0.435 . . . . 0.0 111.667 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.414 ' CE2' ' HB3' ' A' ' 31' ' ' LYS . 30.4 m-85 -54.24 -51.23 65.17 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.578 -179.309 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 25.8 p-10 -99.13 -13.25 19.87 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 -179.417 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.87 47.57 9.47 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.41 -0.9 . . . . 0.0 112.247 -179.539 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 41.6 p-10 -93.18 -9.63 38.62 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 111.785 0.291 . . . . 0.0 111.785 -179.612 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 80.0 21.07 66.33 Favored Glycine 0 C--N 1.331 0.303 0 C-N-CA 120.551 -0.833 . . . . 0.0 112.391 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -155.67 176.4 12.67 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 110.184 -0.302 . . . . 0.0 110.184 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -115.01 122.16 45.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.726 0.298 . . . . 0.0 110.532 179.683 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -121.48 172.48 8.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.004 0.43 . . . . 0.0 110.884 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.08 -34.25 76.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.878 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.1 -20.71 66.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.105 179.535 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -71.31 -32.9 69.17 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.908 0.385 . . . . 0.0 110.058 179.421 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 -77.15 -37.1 54.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.799 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -64.16 -40.04 95.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.458 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.414 ' HB3' ' CE2' ' A' ' 18' ' ' PHE . 12.5 mttt -66.53 -38.95 88.26 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.898 0.38 . . . . 0.0 110.11 179.481 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.421 ' O ' HG12 ' A' ' 36' ' ' ILE . 3.7 tp10 -49.86 -65.03 0.63 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.482 179.726 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -45.23 -47.7 12.7 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.013 0.435 . . . . 0.0 110.786 179.585 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -61.74 -54.64 39.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.056 179.193 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 37.9 t-80 -54.39 -41.79 69.66 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.436 179.633 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.421 HG12 ' O ' ' A' ' 32' ' ' GLU . 17.7 mm -66.08 -56.75 13.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 179.697 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.535 ' HB2' HG13 ' A' ' 49' ' ' VAL . . . -42.21 -42.27 2.98 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.905 0.383 . . . . 0.0 111.359 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -59.52 -38.78 81.86 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.111 179.536 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.14 -27.32 66.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.068 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -90.48 2.16 55.97 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.325 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 59.1 15.88 31.1 Favored Glycine 0 C--N 1.333 0.398 0 C-N-CA 120.865 -0.683 . . . . 0.0 113.118 179.41 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.86 92.99 6.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.855 0.359 . . . . 0.0 110.916 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.546 ' CB ' ' HB2' ' A' ' 46' ' ' ALA . 0.7 OUTLIER 38.64 -158.53 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.94 179.479 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -139.67 -57.44 0.57 Allowed 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 107.733 -1.21 . . . . 0.0 107.733 177.74 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -96.47 27.79 15.92 Favored Glycine 0 N--CA 1.451 -0.322 0 CA-C-N 114.628 -1.169 . . . . 0.0 111.829 178.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.546 ' HB2' ' CB ' ' A' ' 43' ' ' ASP . . . -69.89 -169.3 0.25 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.876 0.369 . . . . 0.0 111.244 179.747 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -80.83 -53.32 6.58 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.402 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -59.59 -27.43 66.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.833 -178.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.535 HG13 ' HB2' ' A' ' 37' ' ' ALA . 4.0 t -76.41 -43.27 36.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 179.555 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 33.8 tp60 -61.12 -42.2 98.1 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 178.388 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 54.1 m -59.82 -56.8 17.27 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.474 179.15 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.407 HD13 ' C ' ' A' ' 106' ' ' GLY . 40.1 tp -52.29 -58.44 6.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.322 -179.567 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -51.42 -39.97 58.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.752 0.31 . . . . 0.0 110.482 179.448 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 15.2 t30 -59.23 -41.33 88.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.829 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.89 -41.5 82.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.761 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -57.5 -29.8 64.59 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.764 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -65.97 -49.41 58.68 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.935 -0.65 . . . . 0.0 112.756 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.411 ' O ' ' HB2' ' A' ' 61' ' ' ASP . . . -58.76 -33.48 73.11 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.855 -179.705 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 27.1 tp -54.97 -36.24 65.15 Favored 'General case' 0 C--N 1.328 -0.368 0 O-C-N 122.669 -0.312 . . . . 0.0 110.85 -179.414 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.77 ' HA ' HD12 ' A' ' 63' ' ' LEU . 18.2 t80 -63.37 -43.56 97.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.986 179.769 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.411 ' HB2' ' O ' ' A' ' 58' ' ' GLY . 1.3 m-20 -43.55 -49.16 7.51 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.415 -179.763 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -57.22 -35.16 69.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.037 0.446 . . . . 0.0 110.569 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.77 HD12 ' HA ' ' A' ' 60' ' ' PHE . 27.5 mt -66.29 -54.86 19.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.033 179.755 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.417 ' O ' ' N ' ' A' ' 68' ' ' GLY . . . -56.05 -42.9 77.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.936 0.398 . . . . 0.0 111.142 -179.738 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.64 -57.95 6.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.267 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.83 -41.58 97.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.768 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -77.49 -25.65 50.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.984 0.421 . . . . 0.0 111.118 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 64' ' ' ALA . . . 80.19 53.77 4.05 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.873 -0.679 . . . . 0.0 113.634 178.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.449 ' CG1' ' HA3' ' A' ' 73' ' ' GLY . 92.4 t -111.38 -88.08 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.67 0.235 . . . . 0.0 111.268 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.551 ' O ' ' CB ' ' A' ' 71' ' ' SER . . . 177.04 -20.95 0.05 OUTLIER Glycine 0 CA--C 1.525 0.693 0 C-N-CA 119.681 -1.247 . . . . 0.0 114.607 -179.761 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.551 ' CB ' ' O ' ' A' ' 70' ' ' GLY . 21.7 m 110.57 -27.75 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 124.197 0.999 . . . . 0.0 109.915 -178.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -110.62 5.87 21.35 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.315 179.807 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.449 ' HA3' ' CG1' ' A' ' 69' ' ' VAL . . . -95.03 -156.02 31.78 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.225 -0.988 . . . . 0.0 112.599 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -143.26 155.75 44.57 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.041 0.448 . . . . 0.0 111.635 -179.229 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -115.31 136.92 52.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.251 179.422 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 2.2 p -84.33 171.88 12.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.996 -179.582 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -62.18 -49.07 77.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.74 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -58.21 -31.33 67.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.243 179.39 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -73.2 -42.04 63.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.279 179.135 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.459 ' CD1' ' OG1' ' A' ' 84' ' ' THR . 36.0 t80 -51.8 -56.08 16.05 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.782 179.364 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 37.4 mt -54.86 -49.33 70.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.583 -179.612 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 5.3 mtm-85 -58.78 -54.98 40.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.656 -179.694 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 50.8 t -71.33 -40.55 73.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 -179.18 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.459 ' OG1' ' CD1' ' A' ' 80' ' ' PHE . 68.7 m -60.2 -43.79 95.65 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.934 0.397 . . . . 0.0 110.007 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -47.27 -52.97 14.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.291 179.644 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -60.02 -36.42 77.22 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.441 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.87 -46.3 81.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.491 179.754 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 10.5 mt -74.54 -39.66 47.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.812 179.625 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -91.37 -82.37 0.3 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.229 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.35 -167.5 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.285 -179.603 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.466 ' HB3' ' CB ' ' A' ' 95' ' ' SER . 3.1 mt-30 75.25 -74.35 0.08 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.817 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 123.14 172.72 13.9 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.223 -0.989 . . . . 0.0 113.355 179.438 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -57.31 -57.79 11.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.035 0.445 . . . . 0.0 111.265 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -59.41 -14.62 12.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.742 -0.663 . . . . 0.0 112.577 -179.113 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' SER . . . . . 0.466 ' CB ' ' HB3' ' A' ' 91' ' ' GLN . 0.2 OUTLIER -77.5 -44.47 28.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.724 0.297 . . . . 0.0 111.013 -179.73 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.655 ' CE2' HD22 ' A' ' 100' ' ' LEU . 0.6 OUTLIER -70.8 -40.01 72.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.963 179.849 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.407 ' O ' ' N ' ' A' ' 101' ' ' GLY . 0.7 OUTLIER -68.6 -36.98 79.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.069 -0.514 . . . . 0.0 112.015 -179.37 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 3.4 ttp85 -64.54 -66.64 0.52 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.805 0.336 . . . . 0.0 111.73 -179.05 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 4.0 p -65.26 -39.38 85.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.155 -0.475 . . . . 0.0 112.274 -178.208 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.657 HD12 HG21 ' A' ' 103' ' ' VAL . 8.4 tp -88.48 -24.21 23.03 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 120.203 -0.599 . . . . 0.0 112.12 -177.844 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.487 ' N ' ' HD2' ' A' ' 102' ' ' PRO . . . -40.4 -53.46 3.47 Favored Glycine 0 CA--C 1.523 0.558 0 C-N-CA 120.902 -0.666 . . . . 0.0 112.947 179.502 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.487 ' HD2' ' N ' ' A' ' 101' ' ' GLY . 58.5 Cg_endo -71.43 -9.31 24.99 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.619 2.212 . . . . 0.0 112.478 179.458 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.657 HG21 HD12 ' A' ' 100' ' ' LEU . 86.1 t -80.98 -53.81 11.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.882 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.565 ' O ' HG23 ' A' ' 108' ' ' VAL . 45.5 t -69.01 -33.38 58.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.116 0.484 . . . . 0.0 110.612 179.632 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 17.3 mttt -58.76 -46.75 86.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.425 178.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' GLY . . . . . 0.407 ' C ' HD13 ' A' ' 52' ' ' LEU . . . -52.7 -36.96 50.32 Favored Glycine 0 N--CA 1.451 -0.301 0 CA-C-N 115.756 -0.656 . . . . 0.0 112.558 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.643 HG21 ' CZ2' ' A' ' 127' ' ' TRP . 26.3 mm -73.69 -40.49 54.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.909 0.385 . . . . 0.0 110.793 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.692 HG22 HD11 ' A' ' 119' ' ' ILE . 43.6 t -64.08 -36.59 77.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.298 179.717 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -60.93 -40.71 98.77 Favored Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.869 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 5.1 ptp -78.67 -23.99 45.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.616 0.245 . . . . 0.0 111.307 -179.307 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 26.1 t -98.99 -21.74 16.09 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 113.157 0.799 . . . . 0.0 113.157 -178.071 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -63.52 104.53 0.65 Allowed 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.377 -0.529 . . . . 0.0 111.395 -178.417 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.79 -20.44 27.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.745 -0.662 . . . . 0.0 110.816 179.107 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 21.1 p-10 -108.65 7.84 26.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.496 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . 42.03 57.32 3.26 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.68 0.276 . . . . 0.0 111.509 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 24.4 p-10 -116.31 -11.06 11.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.721 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 77.85 11.43 85.42 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.906 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -123.51 166.27 15.7 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.941 0.401 . . . . 0.0 111.289 -179.627 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.736 HG13 HD11 ' A' ' 158' ' ' LEU . 47.7 mm -109.44 100.31 10.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.331 -179.337 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 120' ' ' ASN . . . . . 0.423 ' O ' ' N ' ' A' ' 123' ' ' GLU . 1.0 OUTLIER -85.17 158.79 20.28 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 178.853 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.447 ' HA ' ' CD1' ' A' ' 142' ' ' PHE . . . -48.77 -35.88 15.26 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.83 -0.348 . . . . 0.0 111.1 -179.075 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.5 -29.14 65.58 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 178.734 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 123' ' ' GLU . . . . . 0.423 ' N ' ' O ' ' A' ' 120' ' ' ASN . 25.9 mt-10 -79.61 -48.98 12.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.31 -0.404 . . . . 0.0 109.994 178.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 124' ' ' PHE . . . . . 0.611 ' CE2' HD11 ' A' ' 128' ' ' LEU . 20.7 t80 -57.14 -50.89 71.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.352 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.432 ' HA ' ' HB1' ' A' ' 138' ' ' ALA . . . -53.67 -45.93 70.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.16 -179.459 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -55.2 -33.75 63.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.615 -179.703 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' TRP . . . . . 0.643 ' CZ2' HG21 ' A' ' 107' ' ' ILE . 8.2 t90 -83.83 -45.01 13.74 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 112.356 0.502 . . . . 0.0 112.356 -178.568 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.611 HD11 ' CE2' ' A' ' 124' ' ' PHE . 12.1 mt -59.08 -41.36 87.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.791 0.329 . . . . 0.0 111.062 -179.205 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -71.36 -26.54 62.85 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.239 178.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.96 -36.54 83.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.762 -0.653 . . . . 0.0 111.177 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 11.6 mt -84.85 3.45 37.82 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.364 0.505 . . . . 0.0 112.364 -178.362 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 104.72 24.31 7.42 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.094 -1.05 . . . . 0.0 113.633 178.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 133' ' ' MET . . . . . 0.419 ' CG ' ' O ' ' A' ' 128' ' ' LEU . 3.2 mmt -99.48 155.13 17.72 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 117.04 0.42 . . . . 0.0 110.165 179.339 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -82.78 163.7 21.08 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.754 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -66.76 -22.15 66.05 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.723 -179.322 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -80.29 -26.72 38.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.427 -0.352 . . . . 0.0 111.142 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -73.54 -38.63 65.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.345 -179.584 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 138' ' ' ALA . . . . . 0.55 ' HA ' HD12 ' A' ' 128' ' ' LEU . . . -60.45 -59.24 5.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.833 0.349 . . . . 0.0 110.959 -179.792 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -47.04 -43.65 20.01 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.172 179.672 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.02 -49.02 55.56 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.653 -179.477 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 141' ' ' ALA . . . . . 0.545 ' O ' HG23 ' A' ' 145' ' ' VAL . . . -62.78 -36.61 83.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.653 -179.139 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 142' ' ' PHE . . . . . 0.447 ' CD1' ' HA ' ' A' ' 121' ' ' ALA . 73.4 t80 -54.75 -59.23 5.01 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.803 179.513 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -57.51 -34.45 69.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.555 -0.748 . . . . 0.0 112.964 -179.19 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -67.61 -32.86 73.87 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 112.196 0.443 . . . . 0.0 112.196 -178.389 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 145' ' ' VAL . . . . . 0.545 HG23 ' O ' ' A' ' 141' ' ' ALA . 16.5 t -83.39 -29.49 7.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 112.205 0.446 . . . . 0.0 112.205 -178.677 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -62.35 78.16 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.163 0.506 . . . . 0.0 111.274 -179.09 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 147' ' ' THR . . . . . 0.45 ' N ' ' O ' ' A' ' 145' ' ' VAL . 47.3 m -56.13 -33.26 64.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.514 -0.766 . . . . 0.0 112.529 179.746 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 148' ' ' ASN . . . . . 0.42 ' ND2' ' OE2' ' A' ' 157' ' ' GLU . 29.0 p30 -98.2 7.12 46.72 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.498 0.555 . . . . 0.0 112.498 -178.449 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 39.72 38.19 1.05 Allowed Glycine 0 C--N 1.335 0.501 0 C-N-CA 121.067 -0.587 . . . . 0.0 113.511 179.585 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 43.9 p-10 -95.55 -5.15 43.36 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.581 0.229 . . . . 0.0 111.583 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 91.26 1.97 71.48 Favored Glycine 0 C--N 1.333 0.409 0 C-N-CA 120.633 -0.794 . . . . 0.0 113.669 178.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -132.97 135.08 45.29 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 117.517 0.659 . . . . 0.0 111.145 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 21.0 mt -95.86 102.34 14.12 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.024 178.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 50.5 m -86.86 161.12 18.48 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.117 0.484 . . . . 0.0 111.54 -179.024 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 155' ' ' LEU . . . . . 0.411 ' O ' ' HG ' ' A' ' 159' ' ' LEU . 1.5 tt -48.34 -44.09 33.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.235 -179.791 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -55.7 -60.36 3.55 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.537 -179.459 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 157' ' ' GLU . . . . . 0.42 ' OE2' ' ND2' ' A' ' 148' ' ' ASN . 31.9 mt-10 -63.0 -17.39 62.15 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.908 -0.587 . . . . 0.0 112.377 -178.666 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 158' ' ' LEU . . . . . 0.736 HD11 HG13 ' A' ' 119' ' ' ILE . 4.4 mt -71.92 -48.73 43.4 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.758 0.313 . . . . 0.0 110.341 179.208 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 0.476 ' CD2' HG21 ' A' ' 104' ' ' VAL . 0.9 OUTLIER . . . . . 0 N--CA 1.464 0.236 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.048 -179.768 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 40.1 mt . . . . . 0 CA--C 1.522 -0.12 0 CA-C-O 120.823 0.344 . . . . 0.0 111.242 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.46 -28.05 69.0 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.511 -179.477 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.01 -56.25 23.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.834 0.35 . . . . 0.0 110.671 179.792 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.11 -45.43 61.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.062 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.56 -48.16 82.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.344 -179.138 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.562 HD13 HG23 ' A' ' 81' ' ' ILE . 8.9 mt -75.96 -33.26 59.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.783 0.325 . . . . 0.0 111.1 -179.297 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.13 -63.76 1.19 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.734 -179.808 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' A' ' 15' ' ' ARG . 0.8 OUTLIER -50.56 -43.06 56.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.498 179.652 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.23 -34.85 3.0 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.115 179.566 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 14.3 t80 -73.2 -53.96 9.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.565 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -70.92 -15.5 62.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.234 179.492 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.438 ' N ' ' O ' ' A' ' 11' ' ' LYS . 52.9 ttt-85 -75.53 -23.48 56.68 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 111.776 0.287 . . . . 0.0 111.776 -179.323 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.469 ' CH2' ' HG3' ' A' ' 32' ' ' GLU . 10.9 m95 -99.3 -96.53 0.24 Allowed 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 121.204 -0.198 . . . . 0.0 111.216 -179.693 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 41.05 73.08 0.13 Allowed 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.041 0.448 . . . . 0.0 111.432 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.414 ' HB2' ' OD1' ' A' ' 28' ' ' ASP . 0.4 OUTLIER -54.85 -49.08 71.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.585 -178.849 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 33.0 p30 -98.04 -13.15 21.2 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 111.885 0.328 . . . . 0.0 111.885 -179.614 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.54 45.23 14.18 Favored Glycine 0 C--N 1.331 0.267 0 C-N-CA 120.498 -0.858 . . . . 0.0 112.624 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.755 ' ND2' ' HB3' ' A' ' 23' ' ' ALA . 14.6 p-10 -92.79 -8.63 43.12 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 111.814 0.301 . . . . 0.0 111.814 -179.568 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 78.69 20.45 71.15 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.38 -0.915 . . . . 0.0 111.921 -179.335 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.755 ' HB3' ' ND2' ' A' ' 21' ' ' ASN . . . -153.47 168.68 25.31 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.973 -0.381 . . . . 0.0 109.973 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -106.91 116.79 32.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.824 0.345 . . . . 0.0 110.768 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.413 ' HG2' ' HB3' ' A' ' 74' ' ' SER . 8.5 mt-10 -120.01 169.35 10.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.846 -179.703 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.0 ttt180 -69.89 -42.17 73.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.39 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.33 -23.49 15.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.816 179.577 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.414 ' OD1' ' HB2' ' A' ' 18' ' ' PHE . 22.1 m-20 -72.91 -28.81 62.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.192 179.378 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -75.74 -39.64 56.87 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.833 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -62.36 -37.4 85.56 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.154 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 19.1 mttt -68.22 -40.49 82.06 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.891 0.377 . . . . 0.0 110.233 179.147 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.469 ' HG3' ' CH2' ' A' ' 16' ' ' TRP . 75.6 tt0 -52.43 -67.45 0.25 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.237 179.66 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -44.0 -47.28 8.63 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.994 0.426 . . . . 0.0 111.033 179.686 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.419 ' HG2' ' HB1' ' A' ' 44' ' ' ALA . 23.8 mt-30 -62.68 -51.57 66.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.165 179.39 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -56.15 -25.65 47.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.674 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 20.6 mt -82.28 -54.3 9.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.849 179.659 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -44.53 -39.84 5.2 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 120.921 0.391 . . . . 0.0 111.053 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -60.55 -39.16 86.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.435 179.676 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -56.56 -21.77 28.75 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.693 0.282 . . . . 0.0 110.712 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -93.99 0.47 56.03 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.422 179.594 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 50.72 79.1 0.08 OUTLIER Glycine 0 C--N 1.333 0.396 0 C-N-CA 120.874 -0.679 . . . . 0.0 113.037 179.615 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 23.3 mtmt -149.81 -96.12 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 110.414 -0.217 . . . . 0.0 110.414 179.098 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -169.84 125.07 0.81 Allowed 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.907 0.384 . . . . 0.0 111.648 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.59 ' O ' HG11 ' A' ' 49' ' ' VAL . . . -67.6 -6.92 22.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.836 179.741 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -102.24 15.6 56.18 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.501 -0.857 . . . . 0.0 113.326 -179.417 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.71 -166.49 0.15 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.964 0.411 . . . . 0.0 111.003 179.543 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -93.23 -46.65 7.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.327 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -62.5 -21.53 65.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.319 -179.684 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.59 HG11 ' O ' ' A' ' 44' ' ' ALA . 11.2 p -76.1 -47.38 31.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.085 179.454 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.538 ' N ' HG13 ' A' ' 49' ' ' VAL . 18.2 tt0 -60.89 -42.5 98.09 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 178.691 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 18.1 m -58.24 -56.22 24.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.075 179.186 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 18.1 tp -51.57 -59.26 4.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.277 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.6 mtpm? -51.08 -42.5 60.63 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.534 0.207 . . . . 0.0 110.649 179.577 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -57.26 -42.1 80.92 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 179.355 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.82 -41.72 82.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.673 179.224 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -61.35 -30.87 70.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.502 179.603 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -64.86 -50.93 55.8 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.387 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -57.06 -31.16 61.38 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.644 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 9.0 tp -59.1 -40.09 84.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.583 0.23 . . . . 0.0 110.883 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.489 ' HA ' HD12 ' A' ' 63' ' ' LEU . 42.6 t80 -59.37 -44.54 92.72 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 179.587 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -41.67 -47.44 3.96 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.981 0.419 . . . . 0.0 111.085 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.478 ' HE2' HD21 ' A' ' 87' ' ' LEU . 17.8 t80 -59.94 -36.62 77.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.931 179.58 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.489 HD12 ' HA ' ' A' ' 60' ' ' PHE . 58.8 mt -66.67 -55.89 13.12 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.103 -179.73 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.842 ' HB1' ' O ' ' A' ' 69' ' ' VAL . . . -55.04 -49.26 72.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.332 -0.395 . . . . 0.0 112.024 179.744 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.6 -50.37 69.65 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.802 0.334 . . . . 0.0 111.01 -179.499 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -63.33 -41.01 98.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.974 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -78.34 -26.19 46.69 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.904 0.383 . . . . 0.0 111.393 -179.511 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 102.51 1.55 50.2 Favored Glycine 0 CA--C 1.52 0.377 0 C-N-CA 120.595 -0.812 . . . . 0.0 113.94 179.163 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.842 ' O ' ' HB1' ' A' ' 64' ' ' ALA . 35.5 m -102.75 171.57 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.997 0.399 . . . . 0.0 110.624 179.71 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -86.88 178.51 48.45 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 121.013 -0.613 . . . . 0.0 114.087 -178.538 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.2 t -64.95 -14.74 60.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.21 -0.495 . . . . 0.0 111.13 178.399 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -109.35 14.09 23.87 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.722 -0.217 . . . . 0.0 111.336 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -95.4 -165.08 34.84 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.426 -0.892 . . . . 0.0 112.92 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.474 ' HB2' ' HB1' ' A' ' 23' ' ' ALA . 0.1 OUTLIER -141.68 155.06 45.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.867 0.365 . . . . 0.0 111.29 -179.552 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.45 HD21 ' HB3' ' A' ' 63' ' ' LEU . 1.5 mp -114.32 141.94 46.95 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.778 179.727 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 5.3 p -88.57 162.52 16.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.093 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.454 ' O ' HD12 ' A' ' 81' ' ' ILE . 36.7 tt0 -56.12 -48.4 76.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.963 179.68 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.43 -31.08 68.95 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.862 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.56 ' O ' HG23 ' A' ' 83' ' ' VAL . 16.6 mm-40 -74.26 -40.99 61.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.066 0.46 . . . . 0.0 110.106 179.117 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.588 ' O ' HG23 ' A' ' 84' ' ' THR . 39.5 t80 -53.8 -54.99 30.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.835 179.175 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.562 HG23 HD13 ' A' ' 9' ' ' LEU . 3.9 mt -53.79 -51.14 47.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.695 -179.581 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 31.3 mmt180 -58.15 -48.81 79.11 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.393 -179.559 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 79' ' ' GLN . 21.5 t -73.04 -42.46 59.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 N-CA-C 112.259 0.466 . . . . 0.0 112.259 -179.317 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.588 HG23 ' O ' ' A' ' 80' ' ' PHE . 33.4 p -59.0 -44.08 91.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.94 0.4 . . . . 0.0 110.577 -179.572 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -52.16 -47.63 65.36 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.245 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.415 ' HA ' ' HB2' ' A' ' 90' ' ' GLU . 4.7 m120 -59.94 -39.99 87.41 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.604 -179.728 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.478 HD21 ' HE2' ' A' ' 62' ' ' TYR . 0.7 OUTLIER -57.42 -50.12 74.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.477 -179.796 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 4.4 mt -71.62 -47.43 57.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.591 -179.516 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -89.2 -76.07 0.42 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.399 -179.46 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.415 ' HB2' ' HA ' ' A' ' 86' ' ' ASN . 0.6 OUTLIER -57.65 -161.49 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.83 0.347 . . . . 0.0 110.85 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 11.2 mm-40 63.25 143.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.022 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -77.51 165.74 53.01 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.691 179.801 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -56.56 -56.65 18.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.944 0.402 . . . . 0.0 110.947 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.93 -12.27 10.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.788 -0.642 . . . . 0.0 112.482 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.76 -47.47 30.92 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.805 0.336 . . . . 0.0 110.327 179.71 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.632 ' CE1' HD22 ' A' ' 100' ' ' LEU . 0.1 OUTLIER -67.8 -44.42 77.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.96 179.736 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 27.9 m-80 -68.11 -36.14 79.28 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.041 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 43.8 ttp85 -62.29 -66.08 0.59 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.684 -179.416 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 16.7 t -72.01 -34.4 50.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 112.917 0.71 . . . . 0.0 112.917 -178.149 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.632 HD22 ' CE1' ' A' ' 96' ' ' PHE . 3.2 tp -87.56 -28.07 22.19 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 119.673 -0.811 . . . . 0.0 111.858 -177.916 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.473 ' N ' ' HD2' ' A' ' 102' ' ' PRO . . . -41.57 -54.26 4.13 Favored Glycine 0 CA--C 1.523 0.554 0 C-N-CA 120.869 -0.681 . . . . 0.0 112.74 179.524 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.473 ' HD2' ' N ' ' A' ' 101' ' ' GLY . 57.0 Cg_endo -70.84 -15.15 33.05 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.644 2.229 . . . . 0.0 112.308 179.614 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 41.8 t -79.38 -52.82 14.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.944 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.931 ' O ' HG23 ' A' ' 108' ' ' VAL . 26.9 t -67.15 -28.57 43.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.121 0.486 . . . . 0.0 110.403 179.341 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 8.6 mttt -57.84 -48.18 80.5 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.356 178.838 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -52.33 -44.57 58.32 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.3 179.755 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 4.9 mt -72.87 -32.25 39.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.83 0.348 . . . . 0.0 110.569 179.635 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.931 HG23 ' O ' ' A' ' 104' ' ' VAL . 84.4 t -59.27 -42.01 85.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 179.132 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -75.66 57.36 2.99 Favored Glycine 0 CA--C 1.522 0.473 0 C-N-CA 121.021 -0.609 . . . . 0.0 112.159 178.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 22.3 mtp -159.05 -39.56 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.311 -0.444 . . . . 0.0 111.287 -179.581 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 2.7 m -92.35 43.21 1.12 Allowed 'General case' 0 CA--C 1.52 -0.186 0 CA-C-O 121.248 0.547 . . . . 0.0 111.625 -178.392 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' ASP . . . . . 0.42 ' OD1' ' N ' ' A' ' 115' ' ' ALA . 13.2 t70 -168.0 109.17 0.57 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.515 -179.578 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 9.1 mtmt -95.93 11.12 34.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.084 178.756 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -105.12 -19.66 13.75 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-O 120.8 0.333 . . . . 0.0 110.765 179.548 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.42 ' N ' ' OD1' ' A' ' 112' ' ' ASP . . . 62.43 67.63 0.71 Allowed 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 179.312 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 25.8 p-10 -121.12 -11.21 8.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.389 179.237 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 84.5 2.62 88.88 Favored Glycine 0 CA--C 1.521 0.424 0 C-N-CA 120.586 -0.816 . . . . 0.0 113.406 179.412 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 12.0 mm-40 -124.85 165.56 17.82 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 117.323 0.562 . . . . 0.0 111.638 -179.389 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.754 HG13 HD11 ' A' ' 158' ' ' LEU . 25.6 mm -113.01 100.98 11.83 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.75 -179.138 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 120' ' ' ASN . . . . . 0.424 ' O ' ' N ' ' A' ' 123' ' ' GLU . 0.6 OUTLIER -86.01 160.04 19.44 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.686 -0.406 . . . . 0.0 110.042 179.345 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -48.4 -38.8 20.48 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.669 0.271 . . . . 0.0 111.282 -178.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -69.67 -27.52 65.1 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 179.111 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 120' ' ' ASN . 3.8 mt-10 -82.35 -46.71 13.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.25 -0.432 . . . . 0.0 109.892 178.739 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -56.57 -48.39 77.46 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.914 0.388 . . . . 0.0 110.847 179.766 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.494 ' O ' HG23 ' A' ' 129' ' ' THR . . . -54.92 -45.25 74.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.795 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -54.93 -34.43 63.16 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.657 -179.686 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' TRP . . . . . 0.666 ' NE1' HD11 ' A' ' 131' ' ' LEU . 18.1 t90 -81.21 -39.85 24.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.784 0.326 . . . . 0.0 111.68 -179.005 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.606 HD13 ' HA ' ' A' ' 138' ' ' ALA . 0.2 OUTLIER -62.08 -44.1 97.39 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.399 -179.601 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 129' ' ' THR . . . . . 0.494 HG23 ' O ' ' A' ' 125' ' ' ALA . 18.1 p -73.45 -25.84 60.67 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.933 179.799 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -65.2 -37.74 88.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.051 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.666 HD11 ' NE1' ' A' ' 127' ' ' TRP . 3.4 mt -85.96 -6.4 59.06 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 112.237 0.458 . . . . 0.0 112.237 -178.349 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 114.11 24.21 4.6 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 119.938 -1.125 . . . . 0.0 114.069 178.746 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 133' ' ' MET . . . . . 0.421 ' O ' ' HA ' ' A' ' 129' ' ' THR . 2.3 mmt -100.93 154.48 18.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 117.263 0.532 . . . . 0.0 110.107 179.164 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 3.2 m -83.38 154.74 23.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.748 0.309 . . . . 0.0 110.595 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -59.79 -20.77 58.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.699 -179.396 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -80.26 -28.39 38.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.848 179.538 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -73.18 -39.0 65.97 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.074 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 138' ' ' ALA . . . . . 0.606 ' HA ' HD13 ' A' ' 128' ' ' LEU . . . -58.9 -56.79 17.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.97 0.414 . . . . 0.0 110.416 179.722 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -49.56 -43.65 46.14 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.988 179.363 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -70.66 -48.09 56.6 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.658 -179.671 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 141' ' ' ALA . . . . . 0.433 ' O ' HG23 ' A' ' 145' ' ' VAL . . . -63.32 -41.78 98.94 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.828 -179.222 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 62.3 t80 -51.28 -58.28 6.61 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.68 179.436 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -57.21 -34.5 68.59 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.739 -0.664 . . . . 0.0 112.19 -179.652 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 144' ' ' GLN . . . . . 0.427 ' NE2' ' HA ' ' A' ' 141' ' ' ALA . 5.7 mt-30 -66.12 -37.18 85.08 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 -178.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 145' ' ' VAL . . . . . 0.464 ' O ' ' N ' ' A' ' 147' ' ' THR . 21.3 t -84.01 -31.67 8.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 112.616 0.599 . . . . 0.0 112.616 -177.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.9 78.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.216 0.532 . . . . 0.0 110.936 -179.481 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 147' ' ' THR . . . . . 0.464 ' N ' ' O ' ' A' ' 145' ' ' VAL . 0.1 OUTLIER -56.9 -30.2 63.72 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.444 -0.798 . . . . 0.0 112.184 179.652 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 148' ' ' ASN . . . . . 0.4 ' ND2' ' OE2' ' A' ' 157' ' ' GLU . 46.9 p30 -99.57 5.92 45.89 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.488 0.551 . . . . 0.0 112.488 -178.513 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 41.02 41.75 2.77 Favored Glycine 0 C--N 1.336 0.536 0 C-N-CA 120.918 -0.658 . . . . 0.0 113.127 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 31.4 p-10 -96.47 -7.74 34.01 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 111.737 0.273 . . . . 0.0 111.737 -179.433 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 87.75 5.08 78.53 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.499 -0.858 . . . . 0.0 113.432 179.223 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -134.7 136.73 42.96 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 117.25 0.525 . . . . 0.0 111.401 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 0.448 ' CB ' ' HB ' ' A' ' 119' ' ' ILE . 9.8 mt -99.84 102.48 13.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.1 178.751 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 14.0 m -90.49 168.43 11.84 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.922 0.392 . . . . 0.0 111.471 -179.137 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 155' ' ' LEU . . . . . 0.703 HD12 HG21 ' A' ' 108' ' ' VAL . 5.6 tp -50.77 -45.63 59.13 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.677 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -56.66 -61.03 2.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.111 0.482 . . . . 0.0 110.106 179.501 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 157' ' ' GLU . . . . . 0.4 ' OE2' ' ND2' ' A' ' 148' ' ' ASN . 36.2 mt-10 -65.11 -13.28 57.69 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.655 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 158' ' ' LEU . . . . . 0.754 HD11 HG13 ' A' ' 119' ' ' ILE . 0.2 OUTLIER -70.47 -42.32 71.6 Favored 'General case' 0 N--CA 1.457 -0.099 0 CA-C-O 120.954 0.407 . . . . 0.0 110.016 179.183 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 0.57 HD22 HG21 ' A' ' 104' ' ' VAL . 0.4 OUTLIER . . . . . 0 CA--C 1.52 -0.177 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.039 179.337 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 3.4 mt . . . . . 0 N--CA 1.456 -0.129 0 CA-C-O 121.113 0.482 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.92 -39.27 93.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.87 -179.463 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 m -59.71 -47.71 84.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.845 0.355 . . . . 0.0 111.093 -179.631 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -56.76 -50.34 72.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.483 -179.533 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -63.42 -46.27 87.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.612 -179.085 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.783 HD13 HG23 ' A' ' 81' ' ' ILE . 9.7 mt -75.35 -36.19 61.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.791 0.329 . . . . 0.0 111.28 -178.788 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.2 -45.94 89.75 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.757 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.417 ' O ' ' N ' ' A' ' 15' ' ' ARG . 1.5 mmpt? -66.86 -44.85 79.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.5 mmt180 -47.79 -33.84 7.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.21 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -73.95 -61.63 1.78 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.409 -179.64 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.09 -15.08 63.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.143 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.417 ' N ' ' O ' ' A' ' 11' ' ' LYS . 14.4 ttt85 -74.2 -17.04 60.95 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 111.651 0.241 . . . . 0.0 111.651 -179.374 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 53.1 m95 -109.0 -96.73 0.39 Allowed 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.848 -0.341 . . . . 0.0 111.798 -179.362 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 43.8 82.87 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 121.003 0.43 . . . . 0.0 110.864 -179.267 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.482 ' CZ ' ' HB3' ' A' ' 31' ' ' LYS . 0.2 OUTLIER -55.47 -52.68 62.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.822 -0.626 . . . . 0.0 112.076 -178.712 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.419 ' OD1' ' N ' ' A' ' 19' ' ' ASP . 20.4 p-10 -97.55 -12.61 22.35 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 111.805 0.298 . . . . 0.0 111.805 -179.296 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.26 44.06 18.78 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.497 -0.859 . . . . 0.0 112.366 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -92.29 -8.8 44.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.728 0.264 . . . . 0.0 111.562 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 82.58 20.16 62.46 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.577 -0.82 . . . . 0.0 112.425 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -155.27 177.72 11.03 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.579 0.228 . . . . 0.0 110.599 179.683 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -115.22 118.28 32.87 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.822 0.344 . . . . 0.0 110.492 179.782 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -115.11 171.06 7.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.097 0.475 . . . . 0.0 110.611 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.4 ' HA ' ' CD1' ' A' ' 60' ' ' PHE . 23.7 ttp180 -69.15 -34.17 74.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.932 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.63 -18.23 64.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.235 179.709 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -70.76 -29.63 65.9 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.788 0.327 . . . . 0.0 110.203 179.491 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -76.82 -39.31 51.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.265 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.38 -44.76 93.82 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.493 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.482 ' HB3' ' CZ ' ' A' ' 18' ' ' PHE . 5.4 mttt -64.7 -42.11 95.53 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.938 0.399 . . . . 0.0 110.015 179.468 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -53.4 -59.46 4.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.031 179.366 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.596 ' HA ' HD12 ' A' ' 36' ' ' ILE . . . -47.23 -49.15 23.74 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.007 0.432 . . . . 0.0 110.915 179.412 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.55 -47.86 84.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.069 179.493 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 4.4 t-80 -56.43 -22.91 34.96 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.648 179.532 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.596 HD12 ' HA ' ' A' ' 33' ' ' ALA . 58.2 mt -82.95 -55.7 6.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.141 179.718 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -44.29 -42.56 6.78 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-O 120.847 0.356 . . . . 0.0 111.255 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.11 -39.15 91.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.214 179.517 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.08 -30.77 71.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.064 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.427 ' CE2' ' HB3' ' A' ' 111' ' ' CYS . 0.1 OUTLIER -89.69 3.82 51.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.482 -179.745 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 52.92 65.49 3.33 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.458 -0.877 . . . . 0.0 112.487 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -147.63 91.48 1.96 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.814 0.34 . . . . 0.0 110.358 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.44 ' CB ' ' HB2' ' A' ' 46' ' ' ALA . 0.2 OUTLIER 39.43 -160.75 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.863 179.768 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -140.06 -58.26 0.55 Allowed 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 177.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -96.09 24.27 30.8 Favored Glycine 0 N--CA 1.453 -0.21 0 CA-C-N 114.73 -1.123 . . . . 0.0 112.254 179.496 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.44 ' HB2' ' CB ' ' A' ' 43' ' ' ASP . . . -68.77 -173.59 0.48 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 117.151 0.476 . . . . 0.0 110.815 179.465 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -76.6 -51.38 11.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.046 0.451 . . . . 0.0 110.431 179.321 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.4 ' HB2' ' HG2' ' A' ' 110' ' ' MET . 16.8 pt-20 -50.46 -39.07 46.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.801 -0.636 . . . . 0.0 112.312 -178.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 17.9 t -75.79 -37.98 36.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 C-N-CA 120.965 -0.294 . . . . 0.0 111.218 -179.097 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 17.8 tt0 -60.2 -42.58 95.42 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 178.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 24.9 m -57.03 -57.52 12.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.294 179.444 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.523 HD13 HG13 ' A' ' 107' ' ' ILE . 38.3 tp -50.56 -57.25 8.59 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.994 -0.282 . . . . 0.0 110.241 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 26.5 mtpp -50.42 -41.51 52.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.677 0.275 . . . . 0.0 110.484 179.294 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -58.69 -43.48 90.03 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 179.362 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.43 ' CB ' ' O ' ' A' ' 102' ' ' PRO . . . -67.58 -50.88 56.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.729 179.334 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.465 ' CD2' ' HB2' ' A' ' 33' ' ' ALA . 0.7 OUTLIER -51.26 -30.67 18.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.533 179.722 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -62.25 -50.51 64.34 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.173 179.751 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -64.31 -27.8 72.12 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.016 179.675 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 22.7 tp -57.11 -45.0 83.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.776 0.322 . . . . 0.0 110.461 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.408 ' O ' ' HB2' ' A' ' 63' ' ' LEU . 53.8 t80 -62.2 -39.94 94.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.949 0.404 . . . . 0.0 109.981 179.097 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -42.18 -48.16 4.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.486 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.67 ' HB2' HG21 ' A' ' 99' ' ' VAL . 73.9 t80 -58.18 -37.47 74.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.118 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.468 HD23 ' HA ' ' A' ' 63' ' ' LEU . 13.2 mt -64.64 -54.29 34.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.972 179.665 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.457 ' HA ' ' CG2' ' A' ' 69' ' ' VAL . . . -54.85 -44.4 73.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.861 0.363 . . . . 0.0 111.179 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.1 tptt -66.43 -55.15 17.08 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.023 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -60.09 -41.88 93.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.069 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -76.78 -26.21 54.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.623 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 75.86 61.93 2.77 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.943 -0.646 . . . . 0.0 113.651 179.04 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.457 ' CG2' ' HA ' ' A' ' 64' ' ' ALA . 0.0 OUTLIER -119.95 -85.18 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 O-C-N 122.829 -0.218 . . . . 0.0 111.155 179.925 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.544 ' O ' ' CB ' ' A' ' 71' ' ' SER . . . -179.14 -24.99 0.04 OUTLIER Glycine 0 CA--C 1.523 0.588 0 C-N-CA 119.557 -1.306 . . . . 0.0 114.655 -179.647 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.544 ' CB ' ' O ' ' A' ' 70' ' ' GLY . 53.9 p 113.17 -28.13 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 124.241 1.016 . . . . 0.0 109.64 -178.549 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -108.46 9.65 27.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.919 179.28 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -94.94 -160.31 33.85 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.541 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.439 ' C ' HD23 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -142.83 156.3 44.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.047 0.451 . . . . 0.0 111.696 -179.443 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.439 HD23 ' C ' ' A' ' 74' ' ' SER . 11.9 mt -116.32 138.93 50.92 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.531 179.476 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.402 ' OG1' ' HG2' ' A' ' 79' ' ' GLN . 2.8 p -87.59 169.06 12.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.789 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -55.35 -48.35 74.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.842 0.353 . . . . 0.0 110.965 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -58.76 -31.74 68.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.695 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.402 ' HG2' ' OG1' ' A' ' 76' ' ' THR . 23.3 mm-40 -72.37 -43.61 63.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.945 0.402 . . . . 0.0 110.108 179.318 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -50.46 -58.08 6.57 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.597 179.359 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.783 HG23 HD13 ' A' ' 9' ' ' LEU . 50.3 mt -54.61 -49.02 70.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.374 -179.796 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 7.4 mmm180 -57.16 -52.99 63.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.294 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.452 HG23 ' N ' ' A' ' 84' ' ' THR . 14.4 m -70.93 -43.42 76.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.751 0.31 . . . . 0.0 111.555 -179.625 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.452 ' N ' HG23 ' A' ' 83' ' ' VAL . 96.2 m -61.97 -45.45 93.6 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.056 0.455 . . . . 0.0 110.133 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -52.19 -49.01 64.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.648 -0.706 . . . . 0.0 111.218 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.424 ' O ' ' N ' ' A' ' 90' ' ' GLU . 2.6 m120 -59.87 -39.13 84.24 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.029 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.9 mt -58.9 -44.33 91.21 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.066 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 16.4 mt -71.81 -46.64 60.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.327 -179.709 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -89.13 -73.33 0.51 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.768 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 86' ' ' ASN . 0.3 OUTLIER -63.51 -167.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.621 179.792 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 39.3 mm-40 71.04 151.1 0.1 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.998 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -85.25 159.41 33.79 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.829 -0.7 . . . . 0.0 113.022 -179.666 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -56.49 -57.2 13.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.982 0.42 . . . . 0.0 111.003 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.15 -12.27 11.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.911 -0.586 . . . . 0.0 112.444 -179.652 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -73.65 -40.45 63.72 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.736 0.303 . . . . 0.0 111.092 -179.678 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.403 ' O ' ' HB3' ' A' ' 100' ' ' LEU . 0.1 OUTLIER -69.61 -41.86 75.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.011 0.434 . . . . 0.0 110.886 179.759 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -67.78 -36.03 79.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.809 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 2.4 ttt-85 -63.64 -66.1 0.59 Allowed 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 111.93 0.345 . . . . 0.0 111.93 -179.299 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.67 HG21 ' HB2' ' A' ' 62' ' ' TYR . 9.2 p -66.76 -39.57 83.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 112.726 0.639 . . . . 0.0 112.726 -177.824 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.403 ' HB3' ' O ' ' A' ' 96' ' ' PHE . 5.3 tp -88.25 -25.25 22.95 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.187 -0.605 . . . . 0.0 112.279 -177.792 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.453 ' N ' ' HD2' ' A' ' 102' ' ' PRO . . . -40.41 -58.34 2.49 Favored Glycine 0 CA--C 1.523 0.569 0 C-N-CA 120.909 -0.663 . . . . 0.0 113.115 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.453 ' HD2' ' N ' ' A' ' 101' ' ' GLY . 39.3 Cg_endo -66.59 -10.75 29.06 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.666 2.244 . . . . 0.0 112.6 179.596 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 45.8 t -79.74 -54.78 10.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.987 -179.669 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.615 ' O ' HG23 ' A' ' 108' ' ' VAL . 5.2 p -68.25 -36.95 77.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.616 0.722 . . . . 0.0 110.595 179.561 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.83 -59.26 4.85 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.677 -1.147 . . . . 0.0 111.387 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -45.31 -33.74 4.3 Favored Glycine 0 C--N 1.332 0.334 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.674 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.547 HD12 ' HA ' ' A' ' 104' ' ' VAL . 12.9 mt -77.1 -40.38 30.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 120.787 0.327 . . . . 0.0 111.529 -179.572 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.615 HG13 HD11 ' A' ' 119' ' ' ILE . 31.0 t -63.97 -29.05 46.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.691 -179.754 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -71.46 -30.43 66.79 Favored Glycine 0 CA--C 1.518 0.237 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.926 -179.644 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' MET . . . . . 0.4 ' HG2' ' HB2' ' A' ' 48' ' ' GLU . 1.5 mtp -78.69 -23.76 45.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.678 0.239 . . . . 0.0 111.275 -179.287 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' CYS . . . . . 0.427 ' HB3' ' CE2' ' A' ' 40' ' ' PHE . 19.0 p -101.04 -20.27 15.45 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 113.181 0.808 . . . . 0.0 113.181 -178.228 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' ASP . . . . . 0.569 ' OD2' HG12 ' A' ' 108' ' ' VAL . 0.6 OUTLIER -62.03 104.16 0.44 Allowed 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.327 -0.549 . . . . 0.0 110.807 -178.683 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.74 -20.65 25.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.03 179.307 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 53.9 p30 -107.03 2.72 25.26 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.434 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . 43.09 65.28 0.99 Allowed 'General case' 0 N--CA 1.461 0.101 0 N-CA-C 111.789 0.292 . . . . 0.0 111.789 179.555 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 55.4 p30 -123.9 -8.77 7.78 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.667 179.44 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 79.45 8.54 87.69 Favored Glycine 0 C--N 1.333 0.395 0 C-N-CA 120.785 -0.721 . . . . 0.0 113.116 179.582 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -121.96 167.18 13.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.977 0.417 . . . . 0.0 111.545 -179.585 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.615 HD11 HG13 ' A' ' 108' ' ' VAL . 42.1 mm -111.0 100.24 10.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.196 -179.434 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 120' ' ' ASN . . . . . 0.432 ' O ' ' N ' ' A' ' 123' ' ' GLU . 18.4 p30 -87.63 156.58 19.41 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 178.848 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -44.7 -36.41 3.13 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 111.852 0.316 . . . . 0.0 111.852 -178.656 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -71.47 -30.84 66.47 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.626 0.25 . . . . 0.0 110.365 179.324 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 120' ' ' ASN . 49.0 mt-10 -77.66 -48.92 15.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.264 179.028 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 124' ' ' PHE . . . . . 0.504 ' CD1' HG21 ' A' ' 119' ' ' ILE . 0.6 OUTLIER -56.57 -50.88 70.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.709 -179.466 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -54.79 -42.89 72.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.4 -179.444 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -54.89 -31.97 60.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.993 -179.436 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 12.2 t90 -88.73 -36.63 16.04 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 111.696 0.258 . . . . 0.0 111.696 -178.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.507 HD13 ' HA ' ' A' ' 138' ' ' ALA . 0.2 OUTLIER -61.9 -41.61 98.1 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.965 0.412 . . . . 0.0 110.537 179.919 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 129' ' ' THR . . . . . 0.422 ' HA ' ' O ' ' A' ' 133' ' ' MET . 73.0 p -71.77 -24.11 61.7 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.904 178.687 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -66.47 -38.41 87.25 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.399 179.68 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 18.1 mt -85.91 -2.72 58.54 Favored 'General case' 0 N--CA 1.463 0.188 0 N-CA-C 112.645 0.609 . . . . 0.0 112.645 -178.221 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 108.95 25.35 5.67 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 119.92 -1.133 . . . . 0.0 113.57 179.177 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 133' ' ' MET . . . . . 0.422 ' O ' ' HA ' ' A' ' 129' ' ' THR . 1.7 mmt -102.14 152.98 20.36 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 117.062 0.431 . . . . 0.0 109.954 179.123 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -82.21 160.75 22.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.845 0.355 . . . . 0.0 111.092 -179.773 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.04 -28.74 69.81 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.557 -179.384 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -74.1 -23.88 59.38 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.114 179.65 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -74.74 -41.46 60.08 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.586 -179.624 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 138' ' ' ALA . . . . . 0.507 ' HA ' HD13 ' A' ' 128' ' ' LEU . . . -59.18 -58.02 10.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.825 0.345 . . . . 0.0 110.967 -179.673 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -49.39 -43.29 44.13 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.111 179.612 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.67 -48.78 58.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.389 -179.491 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 141' ' ' ALA . . . . . 0.717 ' O ' HG23 ' A' ' 145' ' ' VAL . . . -64.66 -34.13 77.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.762 -179.228 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -58.57 -59.71 4.96 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.21 0.529 . . . . 0.0 110.8 179.651 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -56.8 -35.3 68.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.445 -0.798 . . . . 0.0 112.987 -178.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 144' ' ' GLN . . . . . 0.448 ' HG2' ' HA ' ' A' ' 141' ' ' ALA . 6.8 pt20 -69.2 -28.59 66.51 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 111.846 0.313 . . . . 0.0 111.846 -178.764 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 145' ' ' VAL . . . . . 0.717 HG23 ' O ' ' A' ' 141' ' ' ALA . 33.5 t -84.09 -32.73 8.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -178.631 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.89 78.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.154 0.502 . . . . 0.0 111.297 -179.321 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 147' ' ' THR . . . . . 0.449 ' N ' ' O ' ' A' ' 145' ' ' VAL . 33.3 m -57.5 -35.25 69.97 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.51 -0.768 . . . . 0.0 112.336 179.764 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 25.6 p-10 -95.19 4.99 53.0 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.231 0.456 . . . . 0.0 112.231 -178.283 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 40.78 38.39 1.58 Allowed Glycine 0 C--N 1.334 0.46 0 C-N-CA 121.052 -0.594 . . . . 0.0 113.275 179.551 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 31.5 p-10 -94.45 -6.59 43.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.546 0.212 . . . . 0.0 111.472 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 89.31 4.09 74.53 Favored Glycine 0 C--N 1.333 0.416 0 C-N-CA 120.761 -0.733 . . . . 0.0 113.501 178.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 83.7 mt-10 -134.59 135.54 42.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 117.344 0.572 . . . . 0.0 111.143 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 0.407 ' HB2' ' O ' ' A' ' 119' ' ' ILE . 36.0 mt -103.41 102.65 12.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.921 178.755 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.76 168.47 12.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.982 0.42 . . . . 0.0 111.594 -179.138 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 155' ' ' LEU . . . . . 0.438 ' O ' ' HG ' ' A' ' 159' ' ' LEU . 0.6 OUTLIER -48.08 -43.72 30.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.916 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -56.18 -55.75 29.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.627 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -62.75 -19.85 64.37 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.016 -0.538 . . . . 0.0 112.222 -178.67 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 158' ' ' LEU . . . . . 0.538 HD11 HG13 ' A' ' 119' ' ' ILE . 5.6 mt -76.29 -62.52 1.58 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.797 179.059 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 0.514 ' N ' HD23 ' A' ' 159' ' ' LEU . 0.9 OUTLIER . . . . . 0 N--CA 1.469 0.525 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.427 -179.127 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 27.3 mm . . . . . 0 N--CA 1.457 -0.121 0 CA-C-O 121.106 0.479 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.39 -37.14 86.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.772 -179.36 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.1 t -58.08 -57.67 11.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.34 -179.534 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -49.07 -49.76 40.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.843 -179.614 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.79 -46.28 91.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.712 -178.733 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.644 HD13 HG23 ' A' ' 81' ' ' ILE . 2.5 mt -77.21 -30.38 54.64 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 111.952 0.353 . . . . 0.0 111.952 -178.754 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.77 -47.11 87.78 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.665 0.269 . . . . 0.0 111.454 -179.394 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.1 mttp -65.2 -46.47 80.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.793 -179.629 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.38 -26.26 1.99 Allowed 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 121.016 0.436 . . . . 0.0 110.833 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 43.1 t80 -71.43 -65.75 0.71 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.806 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -70.18 -21.15 63.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.214 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -73.57 -15.23 61.29 Favored 'General case' 0 N--CA 1.465 0.275 0 N-CA-C 111.737 0.273 . . . . 0.0 111.737 -179.713 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 11.6 m95 -115.65 18.08 15.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.77 0.319 . . . . 0.0 110.975 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.71 82.15 5.86 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-O 121.088 0.47 . . . . 0.0 110.71 179.593 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.453 ' CZ ' ' HB3' ' A' ' 31' ' ' LYS . 0.2 OUTLIER -53.11 -50.66 64.01 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.456 -179.308 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -99.65 -12.82 19.7 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 111.922 0.342 . . . . 0.0 111.922 -179.528 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 74.15 45.95 23.51 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.229 -0.986 . . . . 0.0 112.098 -179.51 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 18.1 p-10 -92.73 -9.66 39.87 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 111.694 0.257 . . . . 0.0 111.694 -179.663 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 83.85 21.44 57.6 Favored Glycine 0 C--N 1.332 0.316 0 C-N-CA 120.472 -0.87 . . . . 0.0 112.933 179.684 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -157.13 179.72 9.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.61 0.243 . . . . 0.0 110.705 179.647 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.428 ' O ' HD12 ' A' ' 75' ' ' LEU . 7.2 mt -118.32 119.73 35.51 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.803 0.335 . . . . 0.0 110.603 179.245 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -116.32 170.25 8.68 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.995 0.426 . . . . 0.0 110.373 179.711 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -69.34 -37.96 77.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.57 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.05 -19.92 35.2 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.13 179.632 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.409 ' OD1' ' HB2' ' A' ' 18' ' ' PHE . 4.7 m-20 -72.03 -27.03 62.44 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.498 179.749 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.879 ' CE2' HD12 ' A' ' 59' ' ' LEU . 7.1 m-85 -76.82 -39.44 51.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.805 0.336 . . . . 0.0 110.727 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -63.5 -40.78 97.98 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.369 179.655 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.453 ' HB3' ' CZ ' ' A' ' 18' ' ' PHE . 0.0 OUTLIER -67.01 -45.46 77.47 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.939 0.4 . . . . 0.0 110.044 179.33 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.402 ' O ' HG13 ' A' ' 36' ' ' ILE . 0.9 OUTLIER -51.8 -59.47 4.27 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 178.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -43.47 -50.85 6.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.082 178.708 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -62.97 -49.68 73.76 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.457 179.71 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -54.95 -23.92 21.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.538 179.797 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.402 HG13 ' O ' ' A' ' 32' ' ' GLU . 75.6 mt -83.5 -53.79 10.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.663 179.701 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.646 ' HB2' HG13 ' A' ' 49' ' ' VAL . . . -45.54 -42.27 10.71 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.884 0.373 . . . . 0.0 111.449 179.53 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -61.54 -39.35 90.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.149 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -58.25 -24.25 58.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.809 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 -92.47 3.72 54.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.466 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 67.41 11.75 60.01 Favored Glycine 0 C--N 1.333 0.371 0 C-N-CA 120.864 -0.684 . . . . 0.0 113.087 179.615 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -89.1 162.61 15.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.862 0.331 . . . . 0.0 110.61 179.723 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.551 ' O ' HG21 ' A' ' 49' ' ' VAL . 2.2 m-20 -72.63 131.15 42.06 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.284 -179.834 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.32 -14.74 63.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.246 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -103.65 14.47 53.53 Favored Glycine 0 C--N 1.332 0.326 0 C-N-CA 120.518 -0.849 . . . . 0.0 113.415 -179.277 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.603 ' HB3' HG23 ' A' ' 49' ' ' VAL . . . -71.03 -168.41 0.28 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.765 0.316 . . . . 0.0 110.827 179.135 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -91.55 -46.7 7.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.673 179.438 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.426 ' HG2' ' HG3' ' A' ' 110' ' ' MET . 0.0 OUTLIER -60.08 -27.34 66.91 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.039 -0.528 . . . . 0.0 112.135 -179.149 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.646 HG13 ' HB2' ' A' ' 37' ' ' ALA . 1.6 t -77.05 -41.88 31.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 C-N-CA 120.704 -0.398 . . . . 0.0 110.162 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.428 ' HG3' ' O ' ' A' ' 46' ' ' ALA . 0.3 OUTLIER -61.54 -41.52 97.46 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 178.788 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 95.0 m -56.87 -58.07 9.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.374 179.302 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 11.0 tp -49.79 -58.73 4.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.419 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -49.94 -40.89 45.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.714 0.292 . . . . 0.0 110.422 179.557 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -56.56 -42.73 79.05 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.652 179.643 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.71 -53.56 17.92 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.019 0.438 . . . . 0.0 110.674 179.074 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -47.77 -31.54 4.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.927 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -63.7 -50.41 61.72 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.368 179.534 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -61.23 -28.78 69.74 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.978 -0.629 . . . . 0.0 112.775 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.879 HD12 ' CE2' ' A' ' 29' ' ' PHE . 3.4 tm? -58.97 -40.44 84.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.596 0.198 . . . . 0.0 111.213 -179.569 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -59.88 -39.24 84.65 Favored 'General case' 0 C--N 1.333 -0.11 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 179.038 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -42.55 -44.8 4.29 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 121.14 0.495 . . . . 0.0 110.942 179.18 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.468 ' CE2' ' OE2' ' A' ' 66' ' ' GLU . 40.3 t80 -59.93 -38.66 83.05 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.952 179.788 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.404 ' HB3' HD21 ' A' ' 75' ' ' LEU . 33.0 mt -65.81 -58.31 5.91 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.344 -179.463 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.408 ' O ' ' N ' ' A' ' 68' ' ' GLY . . . -55.74 -43.72 76.9 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.675 0.274 . . . . 0.0 111.46 -179.489 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.35 -56.64 10.13 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.17 0.509 . . . . 0.0 110.741 179.747 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.468 ' OE2' ' CE2' ' A' ' 62' ' ' TYR . 0.5 OUTLIER -60.5 -42.5 96.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.546 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -75.31 -27.82 59.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.04 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 64' ' ' ALA . . . 78.01 51.89 5.59 Favored Glycine 0 N--CA 1.45 -0.384 0 CA-C-N 115.71 -0.677 . . . . 0.0 113.261 179.106 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.48 HG12 ' HA3' ' A' ' 73' ' ' GLY . 49.1 t -122.59 -79.29 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.561 0.22 . . . . 0.0 111.298 -179.705 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 164.71 159.98 11.76 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.57 -0.824 . . . . 0.0 112.37 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.83 -20.35 63.56 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.6 0.238 . . . . 0.0 111.077 179.072 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -115.02 12.04 16.62 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.74 -179.726 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.48 ' HA3' HG12 ' A' ' 69' ' ' VAL . . . -94.58 -165.2 35.98 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.297 -0.954 . . . . 0.0 113.102 -179.5 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -142.22 154.69 44.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.953 0.406 . . . . 0.0 111.199 -179.521 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.46 HD12 ' N ' ' A' ' 75' ' ' LEU . 0.6 OUTLIER -116.79 138.82 51.22 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.711 178.905 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 15.7 p -83.16 -170.87 3.25 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.731 0.301 . . . . 0.0 110.861 -179.559 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -75.82 -52.79 9.62 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.097 0.475 . . . . 0.0 110.699 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -56.31 -31.86 64.09 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.793 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.692 ' O ' HG23 ' A' ' 83' ' ' VAL . 2.4 mm100 -71.61 -46.07 60.26 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.014 0.435 . . . . 0.0 110.689 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.408 ' CE2' HD23 ' A' ' 9' ' ' LEU . 24.6 t80 -50.64 -54.76 20.36 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.069 179.525 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.644 HG23 HD13 ' A' ' 9' ' ' LEU . 5.5 mt -54.85 -57.4 6.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.58 -0.736 . . . . 0.0 112.027 -179.463 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -52.25 -53.39 44.46 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.821 0.343 . . . . 0.0 111.197 -179.119 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.692 HG23 ' O ' ' A' ' 79' ' ' GLN . 4.2 t -67.82 -43.42 86.2 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.226 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.43 -179.429 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 97.3 m -61.59 -43.48 98.78 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 179.759 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -47.84 -50.13 27.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.014 179.614 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -61.15 -35.75 77.92 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.044 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.72 -49.18 78.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.953 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 21.5 mm -75.04 -36.86 39.52 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-O 120.902 0.382 . . . . 0.0 111.091 179.563 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -88.9 -83.36 0.23 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.213 179.707 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.408 ' O ' ' HB2' ' A' ' 91' ' ' GLN . 0.0 OUTLIER -61.0 -155.67 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.504 179.656 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.408 ' HB2' ' O ' ' A' ' 90' ' ' GLU . 71.5 mm-40 66.83 150.94 0.06 Allowed 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.528 -179.774 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -85.77 155.07 28.76 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.613 -0.803 . . . . 0.0 113.636 -178.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -51.77 -57.19 9.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.207 0.527 . . . . 0.0 110.207 179.559 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.83 -12.76 18.96 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.92 179.519 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' SER . . . . . 0.454 ' O ' HG12 ' A' ' 99' ' ' VAL . 1.5 t -72.42 -42.33 65.24 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.864 0.364 . . . . 0.0 110.61 -179.762 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.694 ' CE1' HD22 ' A' ' 100' ' ' LEU . 1.0 OUTLIER -67.62 -44.32 78.29 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.92 179.501 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -67.32 -38.8 85.52 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.437 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 37.1 mtt180 -63.58 -61.69 2.16 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.585 -179.148 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.454 HG12 ' O ' ' A' ' 95' ' ' SER . 9.3 p -71.26 -39.38 72.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 N-CA-C 112.472 0.545 . . . . 0.0 112.472 -177.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.694 HD22 ' CE1' ' A' ' 96' ' ' PHE . 2.6 tp -85.9 -26.32 25.66 Favored 'General case' 0 C--N 1.32 -0.706 0 C-N-CA 119.923 -0.711 . . . . 0.0 111.575 -177.869 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.445 ' N ' ' HD2' ' A' ' 102' ' ' PRO . . . -40.32 -56.98 2.74 Favored Glycine 0 CA--C 1.522 0.521 0 C-N-CA 120.999 -0.619 . . . . 0.0 112.818 179.354 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.445 ' HD2' ' N ' ' A' ' 101' ' ' GLY . 60.0 Cg_endo -69.18 -11.46 31.65 Favored 'Trans proline' 0 CA--C 1.53 0.3 0 C-N-CA 122.549 2.166 . . . . 0.0 112.72 179.594 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 89.7 t -79.66 -54.9 10.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.793 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.636 ' O ' HG23 ' A' ' 108' ' ' VAL . 94.0 t -68.19 -32.52 56.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 121.158 0.504 . . . . 0.0 110.239 178.877 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.436 ' HG3' ' O ' ' A' ' 101' ' ' GLY . 9.6 mttm -55.31 -52.28 63.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.58 179.414 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -48.96 -37.36 22.19 Favored Glycine 0 N--CA 1.451 -0.363 0 CA-C-N 115.872 -0.604 . . . . 0.0 112.569 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.87 HG21 ' CZ2' ' A' ' 127' ' ' TRP . 18.7 mm -72.64 -39.11 60.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.714 0.292 . . . . 0.0 110.98 179.641 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.636 HG23 ' O ' ' A' ' 104' ' ' VAL . 12.8 t -64.79 -36.85 78.65 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.228 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -63.19 -38.35 96.37 Favored Glycine 0 C--N 1.33 0.234 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.871 -179.395 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' MET . . . . . 0.426 ' HG3' ' HG2' ' A' ' 48' ' ' GLU . 45.9 mtp -78.53 -24.56 45.65 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.649 0.261 . . . . 0.0 110.654 -179.799 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 42.2 t -98.31 -25.02 14.98 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 113.104 0.779 . . . . 0.0 113.104 -178.053 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' ASP . . . . . 0.544 ' CG ' HG12 ' A' ' 108' ' ' VAL . 21.7 m-20 -61.35 103.37 0.3 Allowed 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.274 -0.57 . . . . 0.0 110.853 -177.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.09 -20.92 26.41 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.978 179.516 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 20.0 p30 -106.56 -2.0 22.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.517 -0.311 . . . . 0.0 111.317 179.601 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . 49.51 57.24 6.72 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 111.679 0.251 . . . . 0.0 111.679 179.603 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 38.6 p-10 -116.25 -7.91 11.75 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.965 -0.294 . . . . 0.0 111.36 178.756 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 79.29 9.64 86.79 Favored Glycine 0 C--N 1.336 0.574 0 C-N-CA 120.861 -0.685 . . . . 0.0 113.159 179.401 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -124.2 168.65 12.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.891 0.376 . . . . 0.0 111.16 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.718 HG13 HD11 ' A' ' 158' ' ' LEU . 27.9 mm -108.5 100.88 11.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.819 -179.396 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -83.51 159.95 21.59 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 179.193 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -52.13 -37.53 54.61 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.92 -0.312 . . . . 0.0 111.197 -178.771 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -72.16 -23.47 61.29 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 178.631 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -83.12 -49.87 9.05 Favored 'General case' 0 C--O 1.232 0.159 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 178.476 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' PHE . . . . . 0.531 ' CE2' HD11 ' A' ' 128' ' ' LEU . 4.3 t80 -56.29 -49.75 73.35 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.792 179.773 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.692 ' O ' HG23 ' A' ' 129' ' ' THR . . . -57.55 -43.59 84.56 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.092 179.784 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -57.85 -37.12 73.31 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.933 -179.74 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' TRP . . . . . 0.87 ' CZ2' HG21 ' A' ' 107' ' ' ILE . 13.3 t90 -82.51 -42.31 18.58 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 111.816 0.302 . . . . 0.0 111.816 -178.66 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.541 HD12 ' HA ' ' A' ' 138' ' ' ALA . 31.8 mt -59.18 -38.32 79.52 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.935 0.398 . . . . 0.0 110.548 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 129' ' ' THR . . . . . 0.692 HG23 ' O ' ' A' ' 125' ' ' ALA . 49.9 p -70.32 -24.85 63.07 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.113 179.467 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -66.57 -37.99 86.12 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.739 179.743 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 31.5 mt -84.15 1.63 43.45 Favored 'General case' 0 N--CA 1.463 0.198 0 N-CA-C 112.908 0.707 . . . . 0.0 112.908 -177.511 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 105.12 19.95 10.23 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 119.924 -1.131 . . . . 0.0 113.681 178.674 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 133' ' ' MET . . . . . . . . . . . . . 4.8 mmt -96.87 155.89 16.58 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 178.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.56 172.12 14.16 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.092 0.472 . . . . 0.0 111.737 -179.015 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 4.4 mttm -77.63 -26.74 50.78 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.856 -179.447 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -81.13 -29.69 34.71 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 111.896 0.332 . . . . 0.0 111.896 -179.542 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.26 -38.62 71.86 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.397 -179.419 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 138' ' ' ALA . . . . . 0.541 ' HA ' HD12 ' A' ' 128' ' ' LEU . . . -59.73 -54.57 44.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.819 0.342 . . . . 0.0 110.617 -179.817 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -47.32 -44.16 23.4 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.953 179.604 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -70.88 -44.66 65.85 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.149 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 141' ' ' ALA . . . . . 0.402 ' O ' HG23 ' A' ' 145' ' ' VAL . . . -63.83 -39.94 95.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.841 -0.618 . . . . 0.0 112.025 -179.134 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 142' ' ' PHE . . . . . 0.468 ' CE1' ' HG ' ' A' ' 153' ' ' LEU . 76.0 t80 -54.59 -58.37 7.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.919 0.39 . . . . 0.0 110.655 179.437 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -56.56 -33.69 66.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.823 -179.69 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -65.55 -36.96 85.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.056 -0.52 . . . . 0.0 112.284 -178.782 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 145' ' ' VAL . . . . . 0.491 ' O ' ' N ' ' A' ' 147' ' ' THR . 33.3 t -82.57 -28.74 8.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -178.129 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -61.26 77.79 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.266 0 CA-C-O 121.325 0.583 . . . . 0.0 111.022 -179.276 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 147' ' ' THR . . . . . 0.491 ' N ' ' O ' ' A' ' 145' ' ' VAL . 90.0 m -56.39 -38.16 71.1 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.346 -0.843 . . . . 0.0 112.368 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 54.3 p30 -92.66 6.72 46.37 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.805 -178.584 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 39.0 36.43 0.49 Allowed Glycine 0 C--N 1.336 0.552 0 C-N-CA 121.317 -0.468 . . . . 0.0 113.643 179.242 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 48.2 p-10 -93.63 -4.36 50.88 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.638 0.256 . . . . 0.0 111.337 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 89.65 3.0 75.02 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.51 -0.852 . . . . 0.0 113.268 179.491 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -132.39 133.57 44.08 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 117.471 0.635 . . . . 0.0 110.225 179.71 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 0.468 ' HG ' ' CE1' ' A' ' 142' ' ' PHE . 24.8 mt -98.22 105.53 17.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.601 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 3.8 t -91.06 163.19 14.39 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.312 0.577 . . . . 0.0 112.514 -178.857 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 155' ' ' LEU . . . . . 0.686 HD13 HD21 ' A' ' 159' ' ' LEU . 0.2 OUTLIER -48.88 -43.38 38.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.179 -0.919 . . . . 0.0 111.361 179.768 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -56.67 -59.53 4.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.347 -179.56 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -64.05 -18.05 63.97 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.983 -179.068 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 158' ' ' LEU . . . . . 0.718 HD11 HG13 ' A' ' 119' ' ' ILE . 0.2 OUTLIER -70.56 -53.71 14.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.028 179.79 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 0.686 HD21 HD13 ' A' ' 155' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.017 -179.38 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.404 ' O ' ' HD2' ' A' ' 8' ' ' ARG . 13.1 mt . . . . . 0 N--CA 1.457 -0.102 0 CA-C-O 121.033 0.444 . . . . 0.0 111.037 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.43 ' O ' HD12 ' A' ' 9' ' ' LEU . . . -63.62 -38.12 89.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.796 -0.638 . . . . 0.0 112.253 -179.258 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.6 m -60.94 -56.0 26.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.741 0.305 . . . . 0.0 111.109 -179.621 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.94 -49.92 37.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.495 -179.509 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.404 ' HD2' ' O ' ' A' ' 4' ' ' ILE . 0.0 OUTLIER -62.26 -43.27 99.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.436 -179.044 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.472 HD22 ' HA ' ' A' ' 81' ' ' ILE . 0.5 OUTLIER -77.34 -32.91 55.5 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 111.872 0.323 . . . . 0.0 111.872 -178.878 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.68 -63.72 1.17 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.928 0.394 . . . . 0.0 111.081 -179.796 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.425 ' O ' ' HB2' ' A' ' 15' ' ' ARG . 0.2 OUTLIER -50.17 -47.49 54.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.218 -179.646 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.29 -29.78 4.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.785 0.326 . . . . 0.0 111.337 -179.745 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -73.12 -63.85 1.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.708 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 -68.82 -12.6 61.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.092 179.689 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.425 ' HB2' ' O ' ' A' ' 11' ' ' LYS . 0.1 OUTLIER -71.4 -18.22 62.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.566 0.222 . . . . 0.0 111.178 -179.537 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 3.0 m95 -103.75 -91.66 0.36 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.647 -0.251 . . . . 0.0 111.095 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 41.68 75.84 0.08 Allowed 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 121.084 0.468 . . . . 0.0 111.465 -179.784 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.487 ' CE1' ' HB3' ' A' ' 31' ' ' LYS . 1.2 m-85 -54.46 -50.87 66.68 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.557 -179.05 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 22.3 p-10 -98.5 -12.3 21.41 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 -179.285 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 78.09 40.27 21.13 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.444 -0.884 . . . . 0.0 112.554 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.0 p-10 -89.66 -12.39 39.72 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.723 0.261 . . . . 0.0 111.387 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 84.17 22.32 54.95 Favored Glycine 0 C--N 1.332 0.348 0 C-N-CA 120.627 -0.797 . . . . 0.0 112.687 179.529 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -155.37 178.92 9.67 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.713 0.292 . . . . 0.0 110.403 179.685 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.418 HD12 ' HA ' ' A' ' 24' ' ' LEU . 12.7 tp -117.44 128.12 54.69 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.66 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 71.9 mt-10 -126.89 172.79 10.12 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.367 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.81 -33.42 74.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.806 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.01 -21.29 66.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.948 179.442 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.16 -28.99 63.59 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.088 179.465 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -78.59 -36.14 44.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.339 179.514 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -66.33 -38.74 88.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.663 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.487 ' HB3' ' CE1' ' A' ' 18' ' ' PHE . 4.9 mttm -67.44 -43.62 80.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.907 0.384 . . . . 0.0 110.544 179.656 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.4 ' O ' HG13 ' A' ' 36' ' ' ILE . 2.9 tt0 -49.06 -64.92 0.67 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.138 179.744 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -43.6 -46.55 7.25 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.202 0.525 . . . . 0.0 110.858 179.082 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -64.24 -54.79 27.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.786 179.615 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -52.51 -34.36 49.32 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.791 0.329 . . . . 0.0 110.518 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.4 HG13 ' O ' ' A' ' 32' ' ' GLU . 84.3 mt -71.14 -55.51 13.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.576 179.358 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -42.56 -42.23 3.3 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.725 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -58.6 -40.9 84.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.553 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.608 ' HB1' ' O ' ' A' ' 130' ' ' ALA . . . -57.04 -21.47 31.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.397 -179.542 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.401 ' CZ ' ' HA ' ' A' ' 127' ' ' TRP . 26.3 m-85 -92.63 1.8 57.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.68 -0.236 . . . . 0.0 111.375 179.651 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 53.54 19.64 9.77 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.826 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.7 tttt -92.55 -152.52 0.32 Allowed 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 179.564 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.43 ' HB2' ' HB2' ' A' ' 46' ' ' ALA . 8.3 m-20 -69.18 -166.97 0.1 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.074 0.464 . . . . 0.0 111.886 -178.578 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.89 ' O ' HG11 ' A' ' 49' ' ' VAL . . . -140.21 -59.25 0.54 Allowed 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 178.386 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -92.87 27.04 11.78 Favored Glycine 0 N--CA 1.45 -0.404 0 CA-C-N 114.905 -1.043 . . . . 0.0 111.969 179.54 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.43 ' HB2' ' HB2' ' A' ' 43' ' ' ASP . . . -68.25 -166.15 0.06 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.828 0.347 . . . . 0.0 110.943 179.092 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -89.52 -47.99 7.61 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.034 179.664 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -57.5 -28.33 63.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.447 -179.129 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.89 HG11 ' O ' ' A' ' 44' ' ' ALA . 7.3 p -77.32 -42.24 30.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.691 179.732 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.42 ' O ' ' HB2' ' A' ' 54' ' ' ASN . 1.0 OUTLIER -61.4 -42.91 99.47 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 178.713 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 15.7 m -58.57 -54.99 40.86 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.947 -0.569 . . . . 0.0 109.746 178.854 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 11.2 tp -50.8 -62.49 1.57 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.192 179.634 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.48 -42.0 61.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.716 179.52 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.42 ' HB2' ' O ' ' A' ' 50' ' ' GLN . 6.5 t-20 -56.39 -41.4 76.22 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.925 0.393 . . . . 0.0 110.174 179.808 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.42 -32.51 72.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.046 179.584 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -67.11 -31.86 72.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.82 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -64.75 -48.06 76.49 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.185 179.746 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -58.69 -34.96 79.25 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.623 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.573 HD12 HG12 ' A' ' 99' ' ' VAL . 2.9 tp -56.28 -32.34 64.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.892 0.377 . . . . 0.0 110.023 179.775 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -63.02 -44.76 95.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.398 179.167 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -43.16 -50.62 6.26 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.525 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -58.35 -41.34 84.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.12 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.567 ' HB3' HD21 ' A' ' 75' ' ' LEU . 23.3 mt -64.8 -57.57 8.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.188 -179.413 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.608 ' HB1' ' O ' ' A' ' 69' ' ' VAL . . . -54.18 -45.44 72.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.574 179.779 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 9.9 tttp -65.72 -51.72 56.99 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.856 0.36 . . . . 0.0 110.969 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -62.53 -40.61 97.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.112 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -77.13 -26.82 53.56 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.804 0.335 . . . . 0.0 111.601 -179.577 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 103.62 0.24 46.21 Favored Glycine 0 CA--C 1.52 0.35 0 C-N-CA 120.525 -0.845 . . . . 0.0 114.154 178.831 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.608 ' O ' ' HB1' ' A' ' 64' ' ' ALA . 26.9 m -101.44 174.09 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 117.277 0.538 . . . . 0.0 110.067 179.345 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -86.73 179.27 48.87 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.689 -0.767 . . . . 0.0 113.845 -178.479 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 16.2 m -65.12 -13.07 57.18 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.249 -0.476 . . . . 0.0 110.962 178.158 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -113.02 12.58 19.27 Favored 'General case' 0 N--CA 1.462 0.146 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 -179.401 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -93.21 -164.53 37.49 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.344 -0.931 . . . . 0.0 112.307 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -141.58 154.41 45.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.155 0.502 . . . . 0.0 111.804 -179.232 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.567 HD21 ' HB3' ' A' ' 63' ' ' LEU . 3.4 mp -116.04 138.74 50.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.357 179.559 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 6.7 p -86.65 -173.82 4.68 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.676 179.64 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -72.65 -48.74 36.81 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.991 0.424 . . . . 0.0 110.742 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -58.04 -32.77 68.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.878 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -72.46 -43.12 64.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.978 0.418 . . . . 0.0 110.255 179.389 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -49.96 -55.7 13.55 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.727 179.479 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.472 ' HA ' HD22 ' A' ' 9' ' ' LEU . 71.9 mt -54.54 -52.13 43.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.312 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.15 -55.32 32.53 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.011 -0.541 . . . . 0.0 112.007 -178.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 11.9 t -71.74 -40.96 70.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 N-CA-C 111.752 0.279 . . . . 0.0 111.752 -179.258 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 94.6 m -62.27 -45.09 94.84 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.937 0.398 . . . . 0.0 110.48 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -50.96 -49.14 60.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.296 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 29.0 m-80 -59.06 -37.54 77.27 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.137 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.9 mt -59.69 -45.46 92.03 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.218 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 16.8 mm -73.11 -42.47 58.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.444 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -89.95 -75.0 0.46 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.775 0.321 . . . . 0.0 111.184 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.407 ' O ' ' HB2' ' A' ' 91' ' ' GLN . 21.3 mm-40 -64.1 -161.97 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.019 -179.752 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.407 ' HB2' ' O ' ' A' ' 90' ' ' GLU . 0.6 OUTLIER 71.07 -83.48 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.396 -179.617 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 127.55 172.27 13.21 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.253 -0.975 . . . . 0.0 113.04 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -55.31 -58.84 6.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.124 0.487 . . . . 0.0 111.032 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.433 ' O ' ' HB2' ' A' ' 98' ' ' ARG . . . -59.78 -16.86 31.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.562 -0.745 . . . . 0.0 112.209 -179.326 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' SER . . . . . 0.407 ' HB2' ' HB3' ' A' ' 91' ' ' GLN . 60.5 m -79.63 -44.94 20.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.974 0.416 . . . . 0.0 110.806 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.415 ' CE1' HD22 ' A' ' 100' ' ' LEU . 0.2 OUTLIER -71.31 -38.79 71.72 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.139 179.945 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -68.8 -35.2 76.72 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.9 -0.591 . . . . 0.0 112.016 -179.6 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.433 ' HB2' ' O ' ' A' ' 94' ' ' ALA . 0.3 OUTLIER -63.05 -66.81 0.49 Allowed 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.064 0.394 . . . . 0.0 112.064 -179.045 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.573 HG12 HD12 ' A' ' 59' ' ' LEU . 46.7 t -69.2 -35.88 70.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 112.683 0.623 . . . . 0.0 112.683 -178.071 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.415 HD22 ' CE1' ' A' ' 96' ' ' PHE . 8.3 tp -89.1 -26.47 21.34 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 119.815 -0.754 . . . . 0.0 111.948 -178.166 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.479 ' N ' ' HD2' ' A' ' 102' ' ' PRO . . . -42.25 -53.83 4.77 Favored Glycine 0 CA--C 1.522 0.51 0 C-N-CA 120.926 -0.654 . . . . 0.0 112.987 179.488 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.479 ' HD2' ' N ' ' A' ' 101' ' ' GLY . 57.1 Cg_endo -70.52 -14.02 33.28 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.649 2.233 . . . . 0.0 112.081 179.596 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.512 HG21 HD13 ' A' ' 59' ' ' LEU . 41.4 t -78.39 -49.32 21.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.724 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.637 ' CG1' HD22 ' A' ' 158' ' ' LEU . 10.4 t -70.54 -31.99 48.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.174 0.511 . . . . 0.0 110.3 179.305 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.24 -50.59 72.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.763 179.264 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -51.35 -39.99 44.87 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.246 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 24.4 mt -72.76 -41.0 61.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.761 0.315 . . . . 0.0 111.058 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.664 HG13 HD11 ' A' ' 119' ' ' ILE . 76.0 t -63.08 -36.18 74.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.119 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -51.79 -46.65 54.4 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.354 -0.927 . . . . 0.0 112.293 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 23.3 mtm -78.14 -19.4 54.1 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.455 0.169 . . . . 0.0 111.402 -179.638 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 34.9 t -92.6 44.72 1.16 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.866 0.365 . . . . 0.0 111.713 -178.556 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 54.5 t0 -165.98 108.64 0.77 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.687 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 3.0 mtmt -93.07 -4.33 52.61 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 115.527 -0.76 . . . . 0.0 111.196 178.41 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' ASN . . . . . 0.447 ' O ' ' HB3' ' A' ' 115' ' ' ALA . 0.8 OUTLIER -102.73 -17.68 15.51 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-O 120.706 0.289 . . . . 0.0 110.929 179.593 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.447 ' HB3' ' O ' ' A' ' 114' ' ' ASN . . . 68.68 62.94 0.33 Allowed 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 112.265 0.469 . . . . 0.0 112.265 178.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -119.82 -13.8 9.04 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 121.019 -0.272 . . . . 0.0 111.613 179.43 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 80.54 9.41 86.48 Favored Glycine 0 CA--C 1.519 0.298 0 C-N-CA 120.714 -0.755 . . . . 0.0 113.112 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 15.0 mm-40 -122.92 164.32 18.7 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-O 121.092 0.472 . . . . 0.0 111.459 -179.714 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.664 HD11 HG13 ' A' ' 108' ' ' VAL . 19.7 mm -109.89 100.9 11.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.15 -179.481 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 120' ' ' ASN . . . . . 0.414 ' O ' ' N ' ' A' ' 123' ' ' GLU . 6.5 m120 -86.73 157.51 19.62 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 110.106 -0.331 . . . . 0.0 110.106 179.436 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -47.87 -38.69 16.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.672 -179.032 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -70.48 -26.75 63.76 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 179.23 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 120' ' ' ASN . 20.7 mt-10 -85.76 -47.53 9.66 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 178.62 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -54.82 -51.43 65.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.811 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.412 ' HA ' ' HB1' ' A' ' 138' ' ' ALA . . . -58.48 -40.47 82.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.816 179.723 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -54.83 -33.34 61.57 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.297 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 127' ' ' TRP . . . . . 0.401 ' HA ' ' CZ ' ' A' ' 40' ' ' PHE . 18.6 t90 -88.18 -36.91 16.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.642 -0.254 . . . . 0.0 111.547 -178.836 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.28 -42.0 98.96 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.072 0.463 . . . . 0.0 110.156 179.806 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 129' ' ' THR . . . . . 0.416 ' HA ' ' O ' ' A' ' 133' ' ' MET . 70.8 p -72.35 -22.62 61.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.296 178.686 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 130' ' ' ALA . . . . . 0.608 ' O ' ' HB1' ' A' ' 39' ' ' ALA . . . -67.84 -38.47 83.22 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.315 179.601 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 9.4 mt -85.54 -0.19 54.28 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 112.524 0.565 . . . . 0.0 112.524 -178.235 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 108.59 22.53 6.99 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 119.93 -1.129 . . . . 0.0 113.921 179.09 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 133' ' ' MET . . . . . 0.416 ' O ' ' HA ' ' A' ' 129' ' ' THR . 8.0 mmt -99.17 155.35 17.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 117.361 0.58 . . . . 0.0 109.823 178.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 54.5 m -81.48 161.69 23.55 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.756 0.312 . . . . 0.0 110.95 -179.551 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -66.96 -21.99 65.95 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.952 -179.174 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -83.64 -30.04 27.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.639 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.65 -35.22 70.3 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.396 -179.558 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 138' ' ' ALA . . . . . 0.412 ' HB1' ' HA ' ' A' ' 125' ' ' ALA . . . -59.56 -56.86 16.66 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.027 0.441 . . . . 0.0 110.413 179.767 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -47.61 -41.85 22.83 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.414 179.392 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -70.26 -48.23 57.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.752 -179.456 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 141' ' ' ALA . . . . . 0.83 ' O ' HG23 ' A' ' 145' ' ' VAL . . . -63.48 -36.16 82.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.937 0.398 . . . . 0.0 111.719 -179.378 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 83.1 t80 -54.85 -60.74 2.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.823 179.515 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 20.8 m-20 -55.67 -35.44 66.0 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.535 -0.757 . . . . 0.0 112.215 -179.184 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -66.78 -32.36 73.59 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 -179.071 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 145' ' ' VAL . . . . . 0.83 HG23 ' O ' ' A' ' 141' ' ' ALA . 3.5 t -85.02 -35.8 10.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 112.838 0.681 . . . . 0.0 112.838 -178.131 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 146' ' ' ASP . . . . . 0.408 ' N ' HD21 ' A' ' 153' ' ' LEU . 0.6 OUTLIER -61.81 79.91 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.265 0.555 . . . . 0.0 111.311 -179.251 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 147' ' ' THR . . . . . 0.433 ' N ' ' O ' ' A' ' 145' ' ' VAL . 0.2 OUTLIER -56.85 -31.62 64.98 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.27 -0.877 . . . . 0.0 112.668 179.598 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -95.88 6.6 48.5 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.41 0.522 . . . . 0.0 112.41 -178.082 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 40.23 29.07 0.19 Allowed Glycine 0 C--N 1.332 0.359 0 C-N-CA 120.986 -0.626 . . . . 0.0 113.195 179.614 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 45.4 p-10 -88.88 -4.22 58.53 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.633 0.254 . . . . 0.0 111.176 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 87.31 6.04 78.69 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.641 -0.79 . . . . 0.0 113.489 179.097 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -135.36 134.92 40.27 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 117.627 0.713 . . . . 0.0 110.792 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 0.425 ' HB2' ' HB ' ' A' ' 119' ' ' ILE . 56.2 mt -101.02 105.63 16.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.291 179.016 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 27.0 t -88.35 165.84 14.69 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.706 -179.1 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 81.6 mt -48.23 -44.35 33.05 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.71 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -57.35 -51.55 68.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.244 0.545 . . . . 0.0 110.831 179.475 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -64.98 -15.03 61.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.41 -0.814 . . . . 0.0 112.472 -178.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 158' ' ' LEU . . . . . 0.637 HD22 ' CG1' ' A' ' 104' ' ' VAL . 0.2 OUTLIER -75.54 -39.53 58.13 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.173 179.553 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 0.614 ' N ' HD23 ' A' ' 159' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.463 0.206 0 CA-C-O 120.899 0.381 . . . . 0.0 110.643 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.3 mt . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.938 0.399 . . . . 0.0 111.667 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.61 -34.69 78.38 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.975 -179.223 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -57.81 -46.7 84.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.824 0.345 . . . . 0.0 111.048 -179.603 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.44 -46.71 89.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.561 -179.719 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -60.9 -48.75 80.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.594 -179.061 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.724 HD13 ' HA ' ' A' ' 81' ' ' ILE . 47.8 mt -77.49 -29.72 52.71 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 121.043 -0.263 . . . . 0.0 111.514 -179.264 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.95 -50.86 72.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.809 0.338 . . . . 0.0 111.015 -179.287 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 42.6 mttm -62.61 -44.99 94.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.05 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.01 -28.53 2.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.779 0.323 . . . . 0.0 111.331 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -74.54 -61.96 1.69 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.909 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -68.17 -21.42 64.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.902 0.382 . . . . 0.0 110.575 179.479 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.42 -16.54 60.33 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.48 -179.74 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 2.2 m0 -111.18 18.14 19.64 Favored 'General case' 0 C--N 1.333 -0.135 0 N-CA-C 112.11 0.411 . . . . 0.0 112.11 -179.157 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -80.36 81.01 6.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.917 0.389 . . . . 0.0 110.773 179.646 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -54.77 -51.99 63.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.551 -179.239 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.405 ' OD1' ' N ' ' A' ' 19' ' ' ASP . 7.8 p-10 -96.57 -12.75 23.59 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.548 0.213 . . . . 0.0 111.466 -179.603 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.36 43.03 21.39 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.535 -0.84 . . . . 0.0 111.899 -179.577 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.413 ' OD1' ' N ' ' A' ' 21' ' ' ASN . 9.1 p-10 -92.22 -11.58 35.02 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 111.6 0.222 . . . . 0.0 111.6 -179.543 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 83.66 21.0 58.85 Favored Glycine 0 C--N 1.331 0.295 0 C-N-CA 120.551 -0.833 . . . . 0.0 112.326 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.521 ' HB1' ' HB2' ' A' ' 74' ' ' SER . . . -155.28 178.36 10.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.716 0.293 . . . . 0.0 110.676 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 19.7 mt -118.65 124.09 46.54 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.783 179.715 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -119.48 173.47 6.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.042 0.449 . . . . 0.0 110.393 179.607 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 32.8 ttp180 -69.59 -32.51 71.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.052 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.29 -18.82 65.58 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.048 179.556 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.3 -31.46 67.48 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 179.318 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -78.91 -41.33 29.84 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.217 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -61.99 -39.75 93.28 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 179.545 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.36 -42.18 88.43 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.106 0.479 . . . . 0.0 109.846 179.08 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.425 ' O ' HG12 ' A' ' 36' ' ' ILE . 1.3 tt0 -52.04 -63.01 1.28 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.139 179.409 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -44.39 -49.23 9.75 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.88 0.371 . . . . 0.0 111.265 179.63 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.35 -49.5 75.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.421 179.807 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 17.2 t60 -54.26 -23.97 16.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.905 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.425 HG12 ' O ' ' A' ' 32' ' ' GLU . 14.2 mm -82.92 -50.93 15.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.016 179.79 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -46.27 -43.75 15.91 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 120.935 0.398 . . . . 0.0 111.124 179.56 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -61.02 -41.96 97.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.398 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.58 -29.34 69.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.79 0.329 . . . . 0.0 110.846 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.417 ' CE2' ' SG ' ' A' ' 111' ' ' CYS . 2.3 m-85 -91.82 4.9 51.82 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.62 -179.772 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 70.35 20.61 76.96 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.365 -0.922 . . . . 0.0 111.982 -179.282 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -88.73 -179.2 5.95 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.113 0.482 . . . . 0.0 111.248 -179.461 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.426 ' OD1' ' N ' ' A' ' 43' ' ' ASP . 0.4 OUTLIER -70.53 -154.9 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.971 -179.666 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -138.62 -61.69 0.58 Allowed 'General case' 0 N--CA 1.456 -0.174 0 N-CA-C 108.415 -0.958 . . . . 0.0 108.415 178.043 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -96.76 23.06 37.09 Favored Glycine 0 N--CA 1.451 -0.334 0 CA-C-N 115.105 -0.952 . . . . 0.0 112.206 179.317 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.16 -166.12 0.29 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 117.068 0.434 . . . . 0.0 111.117 179.296 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -83.14 -55.39 4.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.901 0.381 . . . . 0.0 110.067 178.675 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -50.79 -42.31 57.89 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.698 -179.412 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 20.4 t -77.07 -39.05 28.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 110.148 -0.316 . . . . 0.0 110.148 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.16 -40.93 95.72 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 178.479 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.2 m -58.1 -57.64 11.95 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.411 179.178 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.409 HD11 ' CE2' ' A' ' 56' ' ' PHE . 13.1 tp -51.2 -58.27 6.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.31 -179.771 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.84 -40.52 56.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.765 -0.198 . . . . 0.0 110.776 179.717 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 49.2 t-20 -57.75 -40.4 79.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.999 0.428 . . . . 0.0 110.041 179.67 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.93 -46.28 68.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.528 179.227 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.409 ' CE2' HD11 ' A' ' 52' ' ' LEU . 2.5 m-85 -54.53 -32.32 57.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.719 179.714 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -62.39 -51.5 55.91 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.545 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -63.14 -26.81 69.63 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.48 -0.866 . . . . 0.0 112.401 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 7.8 tt -58.31 -42.56 86.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.868 0.366 . . . . 0.0 110.521 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.479 ' HA ' HD12 ' A' ' 63' ' ' LEU . 31.5 t80 -60.97 -40.19 92.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.135 179.349 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -42.91 -49.3 5.92 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.254 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.479 ' CE1' ' HG3' ' A' ' 66' ' ' GLU . 4.6 t80 -59.66 -36.43 76.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.637 179.703 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.501 ' HB3' HD11 ' A' ' 75' ' ' LEU . 74.2 mt -65.12 -54.67 26.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.452 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.81 ' HB1' ' O ' ' A' ' 69' ' ' VAL . . . -56.81 -49.24 75.98 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.171 -0.468 . . . . 0.0 112.117 179.409 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.21 -50.61 71.1 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.789 0.328 . . . . 0.0 111.204 -179.164 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.479 ' HG3' ' CE1' ' A' ' 62' ' ' TYR . 1.8 mm-40 -62.87 -40.43 97.49 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.184 179.738 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.423 ' CB ' ' CD2' ' A' ' 75' ' ' LEU . . . -79.14 -26.61 42.78 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 -179.288 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 103.4 4.73 46.63 Favored Glycine 0 CA--C 1.519 0.331 0 C-N-CA 120.5 -0.857 . . . . 0.0 113.704 179.297 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.81 ' O ' ' HB1' ' A' ' 64' ' ' ALA . 26.2 m -104.53 170.19 2.02 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.839 0.319 . . . . 0.0 110.21 179.469 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -88.4 -178.41 46.92 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.708 -0.758 . . . . 0.0 113.697 -178.795 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 18.1 m -64.12 -12.67 41.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.474 -0.363 . . . . 0.0 111.044 178.223 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -114.42 14.32 17.86 Favored 'General case' 0 CA--C 1.528 0.128 0 CA-C-O 120.498 0.19 . . . . 0.0 111.474 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -94.31 -167.12 36.91 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.565 -0.826 . . . . 0.0 112.762 -179.632 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.521 ' HB2' ' HB1' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -143.32 154.98 44.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.056 0.455 . . . . 0.0 111.688 -179.186 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.501 HD11 ' HB3' ' A' ' 63' ' ' LEU . 0.3 OUTLIER -117.99 139.99 50.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.121 179.078 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 59.1 p -84.5 -174.55 5.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.784 0.326 . . . . 0.0 111.242 -179.545 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -75.42 -50.95 14.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.086 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -56.73 -31.66 64.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.399 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -73.49 -43.67 59.58 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.548 179.493 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.473 ' CD1' ' OG1' ' A' ' 84' ' ' THR . 24.7 t80 -53.73 -54.42 38.31 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.928 179.627 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.724 ' HA ' HD13 ' A' ' 9' ' ' LEU . 74.7 mt -52.5 -52.27 27.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.559 -179.546 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -57.38 -54.67 44.22 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.871 -179.374 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 19.2 t -70.06 -40.43 78.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 111.875 0.324 . . . . 0.0 111.875 -178.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.473 ' OG1' ' CD1' ' A' ' 80' ' ' PHE . 61.8 m -62.66 -44.14 97.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.875 0.369 . . . . 0.0 110.273 179.721 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -51.82 -48.74 63.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.132 -179.695 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 13.6 m-80 -59.92 -36.51 77.17 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.762 179.511 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.462 HD22 ' CZ ' ' A' ' 96' ' ' PHE . 0.3 OUTLIER -60.88 -48.43 81.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.349 179.47 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 7.9 mt -74.3 -39.23 48.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.066 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 32.2 m-85 -87.98 -81.33 0.25 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.092 -179.7 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.43 -158.94 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.792 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 74.34 136.94 0.06 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.976 0.417 . . . . 0.0 110.685 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -73.44 162.34 54.53 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.989 -179.629 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -57.63 -56.4 22.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.979 0.419 . . . . 0.0 111.093 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.407 ' O ' ' CG ' ' A' ' 98' ' ' ARG . . . -61.62 -11.48 11.66 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.676 0.621 . . . . 0.0 112.676 -179.476 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.02 -45.26 42.99 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.724 0.297 . . . . 0.0 110.87 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.462 ' CZ ' HD22 ' A' ' 87' ' ' LEU . 0.1 OUTLIER -69.7 -41.33 75.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.689 179.851 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 50.3 t30 -69.59 -35.13 75.04 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.084 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.407 ' CG ' ' O ' ' A' ' 94' ' ' ALA . 8.4 mmp_? -62.43 -56.92 13.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.393 -179.572 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.404 HG21 ' CD2' ' A' ' 62' ' ' TYR . 19.5 t -81.34 -35.74 14.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 112.868 0.692 . . . . 0.0 112.868 -178.134 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.574 ' O ' HG22 ' A' ' 103' ' ' VAL . 7.5 tp -88.54 -26.94 21.73 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 119.982 -0.687 . . . . 0.0 111.901 -177.864 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.511 ' N ' ' HD2' ' A' ' 102' ' ' PRO . . . -47.64 -52.86 14.23 Favored Glycine 0 CA--C 1.525 0.678 0 C-N-CA 120.72 -0.752 . . . . 0.0 113.434 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.511 ' HD2' ' N ' ' A' ' 101' ' ' GLY . 25.6 Cg_endo -63.61 -33.26 67.89 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.633 2.222 . . . . 0.0 114.1 -178.693 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.574 HG22 ' O ' ' A' ' 100' ' ' LEU . 15.1 m -72.48 -41.0 64.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 C-N-CA 120.149 -0.621 . . . . 0.0 111.348 -178.633 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 100' ' ' LEU . 11.5 t -69.03 -37.77 77.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 120.98 0.419 . . . . 0.0 110.011 178.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -57.51 -47.47 81.86 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.734 178.507 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -49.82 -30.24 14.61 Favored Glycine 0 N--CA 1.449 -0.434 0 CA-C-N 115.468 -0.787 . . . . 0.0 112.401 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 84.3 mt -72.85 -41.14 61.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 121.045 0.45 . . . . 0.0 110.418 179.569 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.427 ' O ' ' HB2' ' A' ' 112' ' ' ASP . 44.7 t -63.56 -39.89 87.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.635 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -60.83 -39.78 97.31 Favored Glycine 0 N--CA 1.453 -0.211 0 C-N-CA 120.629 -0.795 . . . . 0.0 112.798 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 8.1 ptm -77.44 -26.14 51.25 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.613 0.206 . . . . 0.0 111.502 -179.17 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' CYS . . . . . 0.437 ' O ' ' C ' ' A' ' 112' ' ' ASP . 3.1 m -97.81 -87.47 0.33 Allowed 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.632 0.605 . . . . 0.0 112.632 -178.362 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' ASP . . . . . 0.437 ' C ' ' O ' ' A' ' 111' ' ' CYS . 5.8 t0 15.93 103.0 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 124.235 1.014 . . . . 0.0 112.83 -178.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 26.9 mttt -81.75 -8.68 59.72 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.952 -179.389 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 53.0 p30 -128.64 -0.76 5.48 Favored 'General case' 0 CA--C 1.53 0.193 0 N-CA-C 111.891 0.33 . . . . 0.0 111.891 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . 52.29 61.55 3.15 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.629 0.252 . . . . 0.0 111.073 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 52.1 p30 -121.65 -8.57 9.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.56 179.387 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 80.26 8.34 87.69 Favored Glycine 0 C--N 1.334 0.43 0 C-N-CA 120.823 -0.703 . . . . 0.0 113.137 179.706 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -121.99 165.73 15.56 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.957 0.408 . . . . 0.0 111.328 -179.696 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 39.4 mm -109.09 100.38 10.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.398 -179.279 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -86.49 156.05 20.27 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 178.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.541 ' HB2' ' CE2' ' A' ' 142' ' ' PHE . . . -47.22 -35.84 8.09 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 121.109 -0.236 . . . . 0.0 111.474 -179.048 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.51 -32.94 70.61 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.238 179.183 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -77.33 -47.02 21.04 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 179.08 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -56.39 -49.07 75.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.731 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -56.48 -44.69 80.88 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.775 -179.257 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -54.74 -31.98 59.15 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 112.331 0.493 . . . . 0.0 112.331 -179.181 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 13.7 t90 -88.69 -37.32 15.64 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 111.701 0.26 . . . . 0.0 111.701 -178.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.422 HD13 ' HA ' ' A' ' 138' ' ' ALA . 0.2 OUTLIER -61.16 -43.29 99.12 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.063 0.459 . . . . 0.0 110.337 179.731 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 129' ' ' THR . . . . . 0.431 ' HA ' ' O ' ' A' ' 133' ' ' MET . 1.6 m -73.31 -28.97 62.39 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.495 179.141 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.22 -36.23 82.97 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.412 179.691 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 21.8 mt -82.92 -4.59 58.37 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.125 0.416 . . . . 0.0 112.125 -178.376 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 110.64 21.83 6.64 Favored Glycine 0 C--N 1.331 0.268 0 C-N-CA 120.024 -1.084 . . . . 0.0 113.655 179.068 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 133' ' ' MET . . . . . 0.431 ' O ' ' HA ' ' A' ' 129' ' ' THR . 7.2 mmt -99.24 155.75 17.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 117.021 0.411 . . . . 0.0 110.072 179.206 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 134' ' ' SER . . . . . 0.416 ' CB ' ' OE1' ' A' ' 137' ' ' GLU . 5.7 m -81.73 165.0 21.34 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.68 0.276 . . . . 0.0 110.874 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.06 -22.86 65.83 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.89 0.376 . . . . 0.0 111.151 -179.764 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -80.2 -26.32 39.26 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.138 179.415 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 137' ' ' GLU . . . . . 0.416 ' OE1' ' CB ' ' A' ' 134' ' ' SER . 2.2 mp0 -73.72 -38.24 64.87 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.635 -179.324 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 138' ' ' ALA . . . . . 0.422 ' HA ' HD13 ' A' ' 128' ' ' LEU . . . -59.78 -58.7 7.42 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.0 0.428 . . . . 0.0 110.729 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -47.77 -42.34 25.43 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.399 179.646 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.64 -50.12 47.29 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.78 -179.455 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 141' ' ' ALA . . . . . 0.584 ' O ' HG23 ' A' ' 145' ' ' VAL . . . -62.88 -37.2 85.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.954 0.407 . . . . 0.0 111.61 -179.153 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 142' ' ' PHE . . . . . 0.541 ' CE2' ' HB2' ' A' ' 121' ' ' ALA . 48.9 t80 -53.71 -60.1 3.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.708 179.504 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -58.1 -34.87 70.66 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.417 -0.811 . . . . 0.0 112.699 -179.418 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -66.47 -34.15 77.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.661 0.267 . . . . 0.0 111.663 -178.84 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 145' ' ' VAL . . . . . 0.584 HG23 ' O ' ' A' ' 141' ' ' ALA . 23.7 t -84.38 -31.22 7.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 -178.641 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -61.55 78.55 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 121.329 0.585 . . . . 0.0 111.224 -178.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 147' ' ' THR . . . . . 0.457 ' N ' ' O ' ' A' ' 145' ' ' VAL . 65.1 m -56.99 -33.67 67.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.304 -0.862 . . . . 0.0 112.705 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 33.4 p30 -97.76 6.1 48.32 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -178.199 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 40.61 31.85 0.44 Allowed Glycine 0 C--N 1.333 0.392 0 C-N-CA 120.973 -0.632 . . . . 0.0 113.456 179.408 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 48.6 p-10 -88.68 -5.01 58.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.571 0.224 . . . . 0.0 111.086 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 88.49 3.96 77.39 Favored Glycine 0 C--N 1.334 0.433 0 C-N-CA 120.801 -0.714 . . . . 0.0 113.265 179.097 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -134.45 135.41 42.5 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 117.24 0.52 . . . . 0.0 110.899 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 0.459 HD23 ' HA ' ' A' ' 153' ' ' LEU . 11.6 mt -103.51 100.57 10.43 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.395 179.283 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 6.1 m -89.69 171.23 9.8 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.062 0.458 . . . . 0.0 111.938 -179.144 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 64.3 mt -49.45 -45.36 46.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.659 -0.7 . . . . 0.0 111.326 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.02 -51.67 68.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.108 0.48 . . . . 0.0 111.042 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -63.57 -19.8 65.12 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.732 -0.667 . . . . 0.0 112.643 -178.619 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.65 -29.99 65.24 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.169 179.778 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 0.411 ' N ' HD23 ' A' ' 159' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.691 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.1 mp . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.89 0.376 . . . . 0.0 111.226 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.06 -33.53 76.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.03 -0.532 . . . . 0.0 112.403 -179.182 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.11 -49.17 78.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.035 0.445 . . . . 0.0 110.708 -179.821 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -54.33 -46.94 72.98 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.331 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.409 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -62.36 -48.35 80.16 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.792 -179.232 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.531 HD13 HG23 ' A' ' 81' ' ' ILE . 35.9 mt -74.98 -39.38 61.31 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.924 -0.31 . . . . 0.0 111.522 -178.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.26 -40.02 76.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.829 0.347 . . . . 0.0 110.715 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.423 ' O ' ' N ' ' A' ' 15' ' ' ARG . 11.1 mtpt -73.31 -46.25 50.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.122 -179.627 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.414 ' O ' ' CE3' ' A' ' 16' ' ' TRP . 2.2 mmp_? -46.91 -28.67 1.68 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.768 0.318 . . . . 0.0 111.022 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -74.46 -59.33 2.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.463 179.504 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -68.96 -14.63 63.16 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.844 179.454 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.423 ' N ' ' O ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -74.06 -22.02 59.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.075 -179.827 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.414 ' CE3' ' O ' ' A' ' 12' ' ' ARG . 1.7 m0 -99.01 -96.74 0.23 Allowed 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 111.806 0.299 . . . . 0.0 111.806 -179.663 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 40.83 72.89 0.14 Allowed 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 121.188 0.518 . . . . 0.0 111.526 -179.301 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -55.62 -50.69 69.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.765 -179.065 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.5 p-10 -98.16 -15.33 19.95 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 111.685 0.254 . . . . 0.0 111.685 -179.277 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 81.11 49.0 5.77 Favored Glycine 0 CA--C 1.518 0.246 0 C-N-CA 120.54 -0.838 . . . . 0.0 112.126 -179.576 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.0 p30 -95.44 -12.49 25.84 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 111.751 0.278 . . . . 0.0 111.751 -179.568 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 82.06 21.3 61.28 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.302 -179.598 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -158.19 179.71 8.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.631 0.253 . . . . 0.0 110.498 179.641 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -114.46 116.86 29.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.87 0.367 . . . . 0.0 110.449 179.374 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -116.29 170.78 8.27 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.583 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -70.15 -39.33 75.42 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.583 179.702 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.2 -22.48 51.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.829 179.394 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -70.87 -27.64 63.98 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.012 179.617 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.464 ' CE2' HD12 ' A' ' 59' ' ' LEU . 65.4 m-85 -76.97 -36.02 56.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.739 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -65.39 -40.98 94.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.51 179.721 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.8 tptt -66.05 -43.69 86.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.866 0.365 . . . . 0.0 110.308 179.693 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -50.5 -68.08 0.2 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.268 179.61 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.415 ' CB ' ' HG3' ' A' ' 53' ' ' LYS . . . -43.06 -46.03 5.48 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.95 179.507 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -64.61 -54.46 31.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.46 179.518 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 27.6 t60 -56.37 -39.41 72.88 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.1 179.457 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.437 ' O ' ' HB3' ' A' ' 39' ' ' ALA . 56.7 mt -63.1 -54.75 29.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.494 179.245 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -43.01 -46.35 5.48 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.716 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.61 -35.57 74.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.914 0.388 . . . . 0.0 110.086 179.349 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.437 ' HB3' ' O ' ' A' ' 36' ' ' ILE . . . -62.11 -33.52 74.61 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 178.716 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -89.7 1.41 56.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.463 178.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 65.08 -157.93 45.88 Favored Glycine 0 N--CA 1.446 -0.673 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.374 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 23.2 mtmt 74.37 -155.29 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.659 0.266 . . . . 0.0 111.214 179.383 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.401 ' HB2' ' HB2' ' A' ' 46' ' ' ALA . 1.0 OUTLIER -68.81 -162.31 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.928 0.394 . . . . 0.0 111.727 -178.898 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.824 ' O ' HG11 ' A' ' 49' ' ' VAL . . . -142.19 -54.26 0.43 Allowed 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 178.107 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -90.87 30.41 6.22 Favored Glycine 0 CA--C 1.519 0.3 0 CA-C-N 114.911 -1.04 . . . . 0.0 112.266 179.56 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.401 ' HB2' ' HB2' ' A' ' 43' ' ' ASP . . . -68.7 -169.55 0.17 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.765 0.283 . . . . 0.0 110.811 179.445 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -87.6 -45.25 10.59 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.813 0.34 . . . . 0.0 111.186 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -58.79 -27.32 64.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.053 -0.521 . . . . 0.0 112.181 -178.816 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.824 HG11 ' O ' ' A' ' 44' ' ' ALA . 5.6 p -76.66 -42.4 34.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.594 -0.275 . . . . 0.0 110.554 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -60.93 -42.59 98.45 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 178.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 27.9 m -58.77 -55.82 30.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.832 178.83 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 47.2 tp -50.42 -60.85 2.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.729 -0.668 . . . . 0.0 110.459 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.415 ' HG3' ' CB ' ' A' ' 33' ' ' ALA . 35.8 mtpt -50.86 -36.17 36.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.61 -0.268 . . . . 0.0 110.784 179.566 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -59.35 -41.52 89.38 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.874 0.369 . . . . 0.0 110.232 179.595 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.05 -46.71 67.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.378 178.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -55.43 -33.71 63.81 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.543 179.515 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -63.17 -51.31 56.0 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.264 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -60.12 -28.75 67.01 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.676 -0.774 . . . . 0.0 112.554 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.64 HD13 ' C ' ' A' ' 59' ' ' LEU . 3.1 tm? -57.48 -39.35 76.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.728 0.299 . . . . 0.0 110.281 179.778 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.417 ' O ' ' N ' ' A' ' 63' ' ' LEU . 47.8 t80 -62.55 -43.9 97.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.399 179.421 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.405 ' OD1' ' N ' ' A' ' 61' ' ' ASP . 0.8 OUTLIER -41.37 -50.33 3.79 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.535 -179.625 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 15.2 t80 -58.05 -33.24 68.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.839 0.352 . . . . 0.0 110.805 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.417 ' N ' ' O ' ' A' ' 60' ' ' PHE . 13.8 mt -67.08 -57.22 7.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.037 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.62 ' HB1' ' O ' ' A' ' 69' ' ' VAL . . . -55.82 -48.33 75.62 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.516 179.738 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 37.3 mtmt -62.54 -53.35 56.08 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.683 -179.685 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 43.9 mm-40 -61.52 -40.1 93.41 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.808 179.601 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -76.54 -26.74 55.5 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.82 0.343 . . . . 0.0 111.601 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 103.65 4.09 46.19 Favored Glycine 0 CA--C 1.521 0.455 0 C-N-CA 120.782 -0.723 . . . . 0.0 114.139 178.721 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.62 ' O ' ' HB1' ' A' ' 64' ' ' ALA . 25.5 m -106.0 176.16 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 117.153 0.477 . . . . 0.0 110.942 179.544 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -85.77 177.51 49.74 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 121.004 -0.617 . . . . 0.0 113.853 -178.728 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.16 -14.03 52.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.136 -0.532 . . . . 0.0 111.082 178.416 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.8 p30 -111.23 14.93 21.7 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 111.608 0.225 . . . . 0.0 111.608 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -94.26 -166.04 36.65 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.503 -0.855 . . . . 0.0 112.641 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 85.3 p -142.06 154.8 45.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.871 0.367 . . . . 0.0 111.361 -179.346 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -117.83 138.4 52.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.297 179.35 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 12.0 p -87.67 178.79 6.65 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.219 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -69.85 -48.24 59.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.133 -179.563 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.93 -35.69 71.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.461 179.792 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.1 -41.85 61.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.036 0.446 . . . . 0.0 110.042 179.215 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 23.1 t80 -52.31 -54.34 32.82 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.489 179.19 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.531 HG23 HD13 ' A' ' 9' ' ' LEU . 79.0 mt -54.76 -51.11 55.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.39 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 58.1 ttt180 -55.74 -54.98 37.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.64 -179.376 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 13.1 t -70.57 -34.61 57.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 111.882 0.327 . . . . 0.0 111.882 -179.218 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 75.5 m -63.03 -43.35 98.92 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.055 0.455 . . . . 0.0 110.087 179.652 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -49.58 -51.41 37.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.799 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -60.7 -37.63 82.3 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.198 -0.456 . . . . 0.0 112.011 -179.45 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 10.4 mt -56.37 -52.6 63.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.822 0.344 . . . . 0.0 111.011 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 49.6 mm -72.54 -38.38 59.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.439 -179.705 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -92.29 -80.05 0.37 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.405 -179.626 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -59.73 -163.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.945 0.402 . . . . 0.0 111.229 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 69.56 -81.62 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.994 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 134.9 174.73 13.55 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.597 -0.811 . . . . 0.0 112.965 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -58.36 -57.43 12.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.108 0.48 . . . . 0.0 111.483 -179.72 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.44 ' O ' ' HB2' ' A' ' 98' ' ' ARG . . . -58.87 -14.7 9.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.668 -0.696 . . . . 0.0 112.515 -178.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 16.5 m -76.92 -43.08 36.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.673 0.273 . . . . 0.0 111.228 -179.723 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 22.7 t80 -71.64 -39.51 70.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.782 0.325 . . . . 0.0 111.782 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 42.0 t-20 -69.52 -34.18 73.9 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.654 -179.579 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.44 ' HB2' ' O ' ' A' ' 94' ' ' ALA . 0.4 OUTLIER -60.46 -66.18 0.57 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.886 0.374 . . . . 0.0 111.993 -179.582 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.416 HG12 HD23 ' A' ' 59' ' ' LEU . 42.7 t -72.25 -35.0 51.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 113.083 0.772 . . . . 0.0 113.083 -178.029 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.916 HD13 ' HB ' ' A' ' 103' ' ' VAL . 0.2 OUTLIER -89.58 -26.01 21.04 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 119.707 -0.797 . . . . 0.0 112.498 -177.721 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -43.35 -60.83 3.01 Favored Glycine 0 CA--C 1.522 0.519 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.579 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_exo -61.4 -16.59 48.18 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.791 2.328 . . . . 0.0 112.439 179.515 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.916 ' HB ' HD13 ' A' ' 100' ' ' LEU . 80.3 t -80.06 -51.59 15.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.191 -179.574 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.623 ' O ' HG23 ' A' ' 108' ' ' VAL . 4.9 t -68.66 -32.72 56.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.981 0.419 . . . . 0.0 110.932 179.351 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.07 -56.74 16.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.649 179.664 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -45.37 -38.87 7.03 Favored Glycine 0 CA--C 1.518 0.279 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.199 179.584 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 17.7 mt -75.16 -38.17 41.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.756 0.312 . . . . 0.0 111.139 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.623 HG23 ' O ' ' A' ' 104' ' ' VAL . 97.0 t -63.52 -32.84 58.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.025 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -71.82 -27.79 70.09 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.592 -0.813 . . . . 0.0 112.35 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.27 -27.47 42.29 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.631 0.253 . . . . 0.0 110.441 179.747 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -86.73 -41.39 14.18 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 113.025 0.75 . . . . 0.0 113.025 -177.528 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' ASP . . . . . 0.436 ' HA ' ' HG2' ' A' ' 123' ' ' GLU . 11.7 m-20 -63.24 -72.71 0.13 Allowed 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.453 -0.499 . . . . 0.0 110.445 -179.206 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.427 ' HB2' ' O ' ' A' ' 112' ' ' ASP . 0.8 OUTLIER 81.83 -2.42 1.56 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.067 -178.252 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 114' ' ' ASN . . . . . 0.585 ' O ' ' HB3' ' A' ' 115' ' ' ALA . 2.4 p30 -105.62 -18.63 14.02 Favored 'General case' 0 CA--C 1.528 0.131 0 CA-C-N 116.625 -0.262 . . . . 0.0 110.533 179.487 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.585 ' HB3' ' O ' ' A' ' 114' ' ' ASN . . . 78.8 43.02 0.08 Allowed 'General case' 0 C--O 1.232 0.151 0 N-CA-C 112.662 0.615 . . . . 0.0 112.662 179.088 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 46.6 p-10 -105.83 -18.67 13.98 Favored 'General case' 0 N--CA 1.463 0.179 0 C-N-CA 121.034 -0.266 . . . . 0.0 110.975 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 79.43 12.21 84.05 Favored Glycine 0 CA--C 1.521 0.462 0 C-N-CA 120.828 -0.701 . . . . 0.0 113.479 179.537 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -124.78 163.91 21.11 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 117.315 0.557 . . . . 0.0 111.828 -179.641 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.542 HG13 HD11 ' A' ' 158' ' ' LEU . 31.9 mm -110.34 101.17 12.17 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.186 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.404 -179.452 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -85.71 158.81 19.95 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 179.384 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.472 ' HB2' ' CZ ' ' A' ' 142' ' ' PHE . . . -48.48 -38.46 20.1 Favored 'General case' 0 C--N 1.332 -0.161 0 C-N-CA 121.143 -0.223 . . . . 0.0 111.286 -178.812 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.6 -27.3 65.92 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 178.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 123' ' ' GLU . . . . . 0.436 ' HG2' ' HA ' ' A' ' 112' ' ' ASP . 25.1 mt-10 -85.97 -46.6 10.38 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.348 178.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 124' ' ' PHE . . . . . 0.487 ' CE2' HD11 ' A' ' 128' ' ' LEU . 3.9 t80 -55.08 -50.7 68.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.955 0.407 . . . . 0.0 110.41 179.664 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.562 ' HA ' ' HB1' ' A' ' 138' ' ' ALA . . . -56.45 -41.89 77.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.381 179.639 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -55.36 -34.95 64.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.471 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 13.1 t90 -83.39 -44.21 15.07 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 112.033 0.382 . . . . 0.0 112.033 -178.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.487 HD11 ' CE2' ' A' ' 124' ' ' PHE . 0.3 OUTLIER -59.64 -43.71 93.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.876 0.37 . . . . 0.0 111.015 -179.43 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 129' ' ' THR . . . . . 0.42 ' HA ' ' O ' ' A' ' 133' ' ' MET . 69.0 p -70.46 -27.62 64.37 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.076 179.372 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.29 -36.45 84.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.331 179.228 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 66.7 mt -85.1 0.56 51.2 Favored 'General case' 0 CA--C 1.531 0.22 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -178.668 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 108.41 24.63 6.11 Favored Glycine 0 C--N 1.332 0.351 0 C-N-CA 120.159 -1.02 . . . . 0.0 113.874 178.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 133' ' ' MET . . . . . 0.42 ' O ' ' HA ' ' A' ' 129' ' ' THR . 23.5 mmt -101.68 154.87 18.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 117.366 0.583 . . . . 0.0 110.62 179.467 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 1.3 p -82.39 169.35 16.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.738 0.304 . . . . 0.0 111.101 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.87 -22.59 61.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.434 -179.552 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -80.69 -26.34 37.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.946 179.681 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -75.13 -44.97 44.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.818 -179.409 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 138' ' ' ALA . . . . . 0.562 ' HB1' ' HA ' ' A' ' 125' ' ' ALA . . . -57.16 -52.07 66.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.817 0.342 . . . . 0.0 110.664 -179.619 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -50.93 -43.34 60.08 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.981 179.435 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.19 -46.5 64.46 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.657 -179.826 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 141' ' ' ALA . . . . . 0.5 ' O ' HG23 ' A' ' 145' ' ' VAL . . . -63.13 -37.15 86.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.619 -179.337 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 142' ' ' PHE . . . . . 0.472 ' CZ ' ' HB2' ' A' ' 121' ' ' ALA . 89.6 t80 -52.85 -61.02 2.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.393 179.488 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -55.51 -34.6 64.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.838 -179.348 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -67.92 -31.07 70.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.463 -179.252 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 145' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 141' ' ' ALA . 59.8 t -85.02 -35.14 9.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 -178.879 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.85 77.95 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.137 0.494 . . . . 0.0 111.367 -179.142 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 147' ' ' THR . . . . . 0.453 ' N ' ' O ' ' A' ' 145' ' ' VAL . 2.2 m -56.83 -33.09 66.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.708 -0.678 . . . . 0.0 112.095 179.643 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 56.5 p30 -97.76 4.86 49.79 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.442 0.534 . . . . 0.0 112.442 -178.368 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 40.7 36.95 1.17 Allowed Glycine 0 CA--C 1.521 0.449 0 C-N-CA 120.998 -0.62 . . . . 0.0 113.214 179.762 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 45.8 p-10 -94.18 -6.92 43.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.519 0.199 . . . . 0.0 111.528 -179.711 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 93.78 0.46 66.52 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.575 -0.821 . . . . 0.0 113.548 179.133 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -132.74 134.61 44.97 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 117.435 0.618 . . . . 0.0 110.509 179.54 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 0.455 ' HG ' ' CE1' ' A' ' 142' ' ' PHE . 56.8 mt -95.58 104.1 16.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.305 179.278 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 9.7 m -88.11 156.6 19.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.929 0.395 . . . . 0.0 111.796 -178.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -44.41 -41.18 6.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.928 -179.408 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.78 -56.52 19.58 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.805 0.336 . . . . 0.0 111.102 -179.531 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -67.89 -14.64 63.13 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.724 0.638 . . . . 0.0 112.724 -179.337 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 158' ' ' LEU . . . . . 0.542 HD11 HG13 ' A' ' 119' ' ' ILE . 0.6 OUTLIER -70.41 -44.48 67.84 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 120.892 0.377 . . . . 0.0 111.056 -179.946 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 0.625 ' N ' HD23 ' A' ' 159' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.459 -179.22 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.5 mp . . . . . 0 C--O 1.231 0.126 0 CA-C-O 121.007 0.432 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.13 -45.42 88.65 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.904 -0.589 . . . . 0.0 112.194 -179.273 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.7 t -58.27 -58.08 10.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.921 0.391 . . . . 0.0 111.007 -179.558 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -46.66 -52.55 13.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.331 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.12 -44.62 96.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.92 -178.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.799 HD13 HG23 ' A' ' 81' ' ' ILE . 8.4 mt -74.85 -37.05 62.34 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.874 -0.331 . . . . 0.0 111.648 -178.459 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.2 tmtm? -60.72 -63.01 1.45 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.827 0.346 . . . . 0.0 110.712 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 37.7 mttp -50.98 -43.47 60.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.938 0.399 . . . . 0.0 110.701 179.74 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -45.87 -37.28 6.09 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.303 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -72.96 -54.74 7.86 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.405 -179.491 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.22 -16.59 63.64 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.62 -179.794 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.7 ttt-85 -74.14 -19.42 60.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.53 0.205 . . . . 0.0 111.538 -179.609 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 11.6 m0 -104.94 -93.14 0.36 Allowed 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 116.798 -0.183 . . . . 0.0 110.991 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 39.96 79.72 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 121.049 0.452 . . . . 0.0 111.732 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.414 ' CD2' ' HB3' ' A' ' 31' ' ' LYS . 80.9 m-85 -56.22 -52.27 65.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.847 -179.224 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 27.8 p-10 -98.68 -13.97 20.04 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 111.832 0.308 . . . . 0.0 111.832 -179.234 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.18 43.19 21.81 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.448 -0.882 . . . . 0.0 112.193 -179.472 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.9 p30 -92.01 -9.09 44.13 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 111.651 0.241 . . . . 0.0 111.651 -179.625 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 81.12 16.88 73.39 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.415 -0.898 . . . . 0.0 112.413 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -153.59 -179.0 7.39 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.571 0.224 . . . . 0.0 110.504 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 78.4 mt -121.4 122.67 40.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.886 0.374 . . . . 0.0 110.92 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -117.86 172.12 7.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.112 0.482 . . . . 0.0 110.683 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.442 ' HA ' ' CD2' ' A' ' 60' ' ' PHE . 8.0 ttp85 -64.36 -30.49 71.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.001 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.52 -18.92 61.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.313 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -73.63 -30.98 63.29 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 110.183 -0.303 . . . . 0.0 110.183 179.435 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.497 ' CZ ' HD11 ' A' ' 63' ' ' LEU . 50.7 m-85 -76.27 -37.08 58.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.923 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -65.29 -35.51 81.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.513 179.67 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.414 ' HB3' ' CD2' ' A' ' 18' ' ' PHE . 8.3 mttt -64.73 -40.28 95.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.035 0.445 . . . . 0.0 109.982 179.4 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.474 ' HG2' ' CZ ' ' A' ' 56' ' ' PHE . 2.6 tt0 -56.39 -18.44 11.04 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.32 179.62 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.425 ' HB3' ' HG2' ' A' ' 53' ' ' LYS . . . -91.25 -50.54 5.77 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.977 0.418 . . . . 0.0 111.065 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.401 ' HG3' ' HD2' ' A' ' 53' ' ' LYS . 18.3 mt-30 -61.08 -51.56 68.65 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.855 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -54.07 -25.26 20.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.932 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.557 ' O ' ' HB3' ' A' ' 39' ' ' ALA . 16.5 mm -85.23 -50.43 14.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.355 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -45.38 -49.16 13.28 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.781 -0.19 . . . . 0.0 111.099 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -58.73 -34.44 71.37 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 178.824 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.557 ' HB3' ' O ' ' A' ' 36' ' ' ILE . . . -60.56 -31.46 70.58 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 178.404 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -93.94 1.06 56.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.876 179.111 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.406 ' O ' ' HB3' ' A' ' 42' ' ' LYS . . . 59.1 -154.37 29.08 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.979 -0.629 . . . . 0.0 112.889 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.406 ' HB3' ' O ' ' A' ' 41' ' ' GLY . 4.9 ttmt 74.95 -56.49 0.63 Allowed 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 122.389 0.276 . . . . 0.0 111.471 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.531 ' CB ' ' HB2' ' A' ' 46' ' ' ALA . 0.1 OUTLIER -164.67 -164.15 0.79 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.128 0.49 . . . . 0.0 111.931 -179.076 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.73 ' O ' HG11 ' A' ' 49' ' ' VAL . . . -140.85 -57.1 0.51 Allowed 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 177.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -95.96 25.65 24.36 Favored Glycine 0 N--CA 1.452 -0.246 0 CA-C-N 114.72 -1.127 . . . . 0.0 111.771 179.231 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.531 ' HB2' ' CB ' ' A' ' 43' ' ' ASP . . . -66.36 -172.04 0.14 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.927 0.394 . . . . 0.0 111.188 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -73.05 -53.25 11.58 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.16 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -59.05 -27.75 65.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.952 -179.056 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.73 HG11 ' O ' ' A' ' 44' ' ' ALA . 17.1 t -77.26 -44.78 30.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 C-N-CA 120.866 -0.334 . . . . 0.0 110.215 179.517 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.8 tp60 -60.04 -43.35 95.41 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 178.821 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 85.6 m -57.68 -56.2 25.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.97 179.115 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.538 HD13 ' HA3' ' A' ' 106' ' ' GLY . 51.5 tp -50.63 -56.22 12.84 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.43 ' HB3' ' NZ ' ' A' ' 53' ' ' LYS . 9.7 mtpm? -50.75 -42.06 57.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.786 0.327 . . . . 0.0 110.278 178.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -57.81 -44.7 86.56 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.027 179.551 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.82 -44.26 77.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.368 179.2 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.474 ' CZ ' ' HG2' ' A' ' 32' ' ' GLU . 0.2 OUTLIER -57.72 -31.8 66.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.417 179.652 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -68.76 -48.72 47.48 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.059 179.629 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -54.98 -36.79 61.16 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.895 -0.669 . . . . 0.0 112.549 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.747 HD13 HG21 ' A' ' 103' ' ' VAL . 1.2 tt -58.55 -35.31 72.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.707 0.289 . . . . 0.0 110.27 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.442 ' CD2' ' HA ' ' A' ' 26' ' ' ARG . 57.6 t80 -60.2 -47.91 83.96 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.649 -0.501 . . . . 0.0 109.649 179.181 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -42.0 -51.03 4.57 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.088 179.673 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -57.37 -36.06 70.75 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.043 0.449 . . . . 0.0 110.466 179.48 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.497 HD11 ' CZ ' ' A' ' 29' ' ' PHE . 28.0 mt -65.1 -56.28 13.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.297 179.427 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.449 ' HA ' ' CG2' ' A' ' 69' ' ' VAL . . . -56.07 -44.64 79.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.199 179.747 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.88 -54.65 27.52 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.001 0.429 . . . . 0.0 110.849 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -62.44 -39.69 94.17 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.743 179.544 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -77.49 -27.11 51.77 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.867 0.365 . . . . 0.0 111.302 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 64' ' ' ALA . . . 77.33 68.47 1.51 Allowed Glycine 0 CA--C 1.519 0.295 0 C-N-CA 120.914 -0.66 . . . . 0.0 113.911 178.785 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.478 HG23 ' H ' ' A' ' 70' ' ' GLY . 0.0 OUTLIER -124.66 -86.7 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.66 0.23 . . . . 0.0 111.355 179.898 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.55 ' O ' ' CB ' ' A' ' 71' ' ' SER . . . 178.4 -22.81 0.05 OUTLIER Glycine 0 CA--C 1.523 0.58 0 C-N-CA 119.659 -1.258 . . . . 0.0 114.632 -179.651 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.55 ' CB ' ' O ' ' A' ' 70' ' ' GLY . 22.7 t 114.18 -27.15 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.252 1.021 . . . . 0.0 109.745 -178.634 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -110.6 10.62 22.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.082 179.465 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -94.2 -162.86 35.65 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.643 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.4 p -142.79 156.37 44.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.027 0.441 . . . . 0.0 111.503 -179.336 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.5 mt -118.59 142.11 47.94 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.667 179.576 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 4.3 p -86.61 -170.52 3.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.456 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -75.71 -47.55 25.69 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.371 179.384 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -60.29 -31.69 70.49 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.265 179.725 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.491 ' O ' HG23 ' A' ' 83' ' ' VAL . 2.0 mp0 -73.22 -44.61 59.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.007 0.432 . . . . 0.0 110.903 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -52.79 -52.69 55.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.892 179.561 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.799 HG23 HD13 ' A' ' 9' ' ' LEU . 36.1 mt -53.28 -54.22 19.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.671 -0.695 . . . . 0.0 112.015 -179.242 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.42 -49.82 73.43 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.859 -179.209 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 79' ' ' GLN . 21.9 t -71.69 -48.94 49.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 N-CA-C 112.968 0.729 . . . . 0.0 112.968 -178.474 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 3.9 t -59.01 -41.04 86.73 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 121.049 -0.26 . . . . 0.0 111.199 -178.725 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.413 ' O ' ' HB2' ' A' ' 89' ' ' PHE . 2.7 mt-10 -63.28 -42.05 99.05 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -179.051 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.425 ' O ' ' HB2' ' A' ' 90' ' ' GLU . 1.2 t-20 -55.17 -41.09 71.42 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.229 0.455 . . . . 0.0 112.229 -178.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 9.2 mt -59.52 -57.04 14.71 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.809 0.338 . . . . 0.0 111.704 -179.51 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 3.1 mt -73.17 -36.86 51.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 N-CA-C 112.708 0.633 . . . . 0.0 112.708 -178.813 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.413 ' HB2' ' O ' ' A' ' 85' ' ' GLU . 11.4 m-85 -89.68 -70.25 0.67 Allowed 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.173 0.435 . . . . 0.0 112.173 -178.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.425 ' HB2' ' O ' ' A' ' 86' ' ' ASN . 0.0 OUTLIER -41.58 -79.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.344 0.498 . . . . 0.0 112.344 -178.667 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.5 175.11 10.81 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 112.21 0.448 . . . . 0.0 112.21 -178.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -89.23 -157.07 32.52 Favored Glycine 0 C--N 1.334 0.426 0 C-N-CA 121.068 -0.587 . . . . 0.0 113.406 -179.262 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -56.53 -39.77 73.92 Favored 'General case' 0 N--CA 1.462 0.166 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 -179.188 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -52.92 -25.85 13.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.908 -178.466 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.3 p -82.38 -52.65 6.69 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.038 179.541 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.637 ' CZ ' HD22 ' A' ' 100' ' ' LEU . 3.4 t80 -71.7 -39.26 70.3 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.845 -179.58 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.411 ' O ' ' N ' ' A' ' 101' ' ' GLY . 33.2 t-20 -69.17 -36.14 77.05 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.555 -179.381 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 -63.19 -65.92 0.62 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.846 0.355 . . . . 0.0 111.638 -179.161 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 9.8 p -66.53 -39.64 84.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 112.658 0.614 . . . . 0.0 112.658 -178.201 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.637 HD22 ' CZ ' ' A' ' 96' ' ' PHE . 7.4 tp -89.87 -23.97 21.5 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 112.819 0.674 . . . . 0.0 112.819 -177.598 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 97' ' ' ASN . . . -44.38 -66.21 1.45 Allowed Glycine 0 CA--C 1.521 0.431 0 C-N-CA 120.519 -0.848 . . . . 0.0 113.212 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -54.09 -18.49 13.7 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.727 2.285 . . . . 0.0 112.68 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.747 HG21 HD13 ' A' ' 59' ' ' LEU . 43.7 t -77.61 -46.05 27.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 C-N-CA 120.765 -0.374 . . . . 0.0 111.299 -179.539 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.421 ' O ' HG23 ' A' ' 108' ' ' VAL . 47.3 t -70.46 -36.32 65.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 121.022 0.439 . . . . 0.0 110.702 179.432 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.472 ' CG ' HD11 ' A' ' 155' ' ' LEU . 16.9 mtpt -57.5 -52.53 65.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.772 179.31 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' GLY . . . . . 0.538 ' HA3' HD13 ' A' ' 52' ' ' LEU . . . -47.56 -31.2 6.87 Favored Glycine 0 C--N 1.331 0.262 0 CA-C-N 115.829 -0.623 . . . . 0.0 112.818 -179.8 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.438 HD13 ' CZ2' ' A' ' 127' ' ' TRP . 46.9 mt -75.39 -39.66 41.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.909 0.385 . . . . 0.0 110.69 179.794 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.424 HG12 ' CG ' ' A' ' 112' ' ' ASP . 10.8 t -62.76 -36.32 74.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.344 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -59.81 -41.08 97.47 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.536 -0.84 . . . . 0.0 112.555 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 1.3 mtp -79.14 -25.07 42.93 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 121.376 -0.13 . . . . 0.0 111.183 -179.519 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 42.9 t -97.15 -26.11 15.07 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 113.328 0.862 . . . . 0.0 113.328 -177.747 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' ASP . . . . . 0.424 ' CG ' HG12 ' A' ' 108' ' ' VAL . 5.5 m-20 -62.27 104.88 0.53 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.151 0.5 . . . . 0.0 111.191 -178.453 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 2.8 mtpt -87.5 -21.66 25.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.939 179.373 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -107.55 8.24 29.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.617 -0.265 . . . . 0.0 111.409 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . 40.51 61.63 1.56 Allowed 'General case' 0 N--CA 1.463 0.215 0 N-CA-C 112.136 0.421 . . . . 0.0 112.136 179.539 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -120.06 -10.15 9.48 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 116.67 -0.241 . . . . 0.0 111.421 179.433 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 79.27 9.55 86.89 Favored Glycine 0 C--N 1.334 0.459 0 C-N-CA 120.884 -0.674 . . . . 0.0 113.167 179.482 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -123.43 167.46 13.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.949 0.404 . . . . 0.0 111.363 -179.717 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.76 HG13 HD11 ' A' ' 158' ' ' LEU . 20.1 mm -108.5 99.18 8.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.399 -179.419 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 120' ' ' ASN . . . . . 0.425 ' O ' ' N ' ' A' ' 123' ' ' GLU . 1.4 m-20 -85.4 155.24 21.37 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 178.904 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.402 ' HB2' ' CE2' ' A' ' 142' ' ' PHE . . . -47.22 -37.55 10.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.595 0.236 . . . . 0.0 111.569 -178.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 -71.26 -27.15 63.24 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 110.156 -0.313 . . . . 0.0 110.156 179.258 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 120' ' ' ASN . 37.6 mt-10 -84.05 -47.96 10.39 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 178.706 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 124' ' ' PHE . . . . . 0.581 ' CE2' HD11 ' A' ' 128' ' ' LEU . 2.4 t80 -57.47 -50.81 71.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.099 0.475 . . . . 0.0 110.874 179.685 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -55.48 -45.38 76.97 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.016 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -56.71 -31.33 64.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.867 -179.535 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' TRP . . . . . 0.476 ' O ' ' HB3' ' A' ' 130' ' ' ALA . 12.7 t90 -87.81 -36.44 17.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.603 0.239 . . . . 0.0 111.594 -178.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.581 HD11 ' CE2' ' A' ' 124' ' ' PHE . 0.9 OUTLIER -62.73 -41.9 99.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.149 0.499 . . . . 0.0 110.418 179.836 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 39.6 p -71.28 -21.86 62.03 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.073 178.569 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 130' ' ' ALA . . . . . 0.476 ' HB3' ' O ' ' A' ' 127' ' ' TRP . . . -64.7 -37.34 87.26 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.4 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 38.6 mt -89.12 -13.06 39.37 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 112.226 0.454 . . . . 0.0 112.226 -178.475 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 122.46 29.59 1.29 Allowed Glycine 0 N--CA 1.453 -0.2 0 C-N-CA 119.943 -1.122 . . . . 0.0 113.848 179.226 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 133' ' ' MET . . . . . . . . . . . . . 18.9 mmt -103.18 151.94 22.03 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 178.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.34 163.66 21.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.934 0.397 . . . . 0.0 111.289 -179.491 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 1.3 ttmm -65.01 -26.54 68.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.177 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -78.86 -25.42 43.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.86 179.382 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -73.56 -44.51 57.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.608 -179.552 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 138' ' ' ALA . . . . . 0.567 ' HA ' HD13 ' A' ' 128' ' ' LEU . . . -58.79 -56.28 24.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.803 -179.758 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -48.61 -44.0 36.73 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.197 179.643 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.5 -48.99 58.8 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.464 -179.56 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 141' ' ' ALA . . . . . 0.571 ' O ' HG23 ' A' ' 145' ' ' VAL . . . -62.01 -36.08 80.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.721 -179.049 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 142' ' ' PHE . . . . . 0.402 ' CE2' ' HB2' ' A' ' 121' ' ' ALA . 44.0 t80 -55.31 -59.32 4.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.856 179.584 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -58.58 -34.34 70.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.733 -0.667 . . . . 0.0 112.277 -179.723 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -65.73 -38.63 89.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.966 -178.766 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 145' ' ' VAL . . . . . 0.571 HG23 ' O ' ' A' ' 141' ' ' ALA . 20.5 t -82.93 -28.58 8.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 N-CA-C 112.551 0.574 . . . . 0.0 112.551 -178.258 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.14 78.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.054 0.454 . . . . 0.0 111.239 -179.386 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 147' ' ' THR . . . . . 0.452 ' N ' ' O ' ' A' ' 145' ' ' VAL . 17.0 m -56.48 -35.98 68.59 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.661 -0.699 . . . . 0.0 112.289 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 49.4 p-10 -97.12 6.59 48.24 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.234 0.457 . . . . 0.0 112.234 -178.511 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 40.29 37.31 1.1 Allowed Glycine 0 C--N 1.335 0.496 0 C-N-CA 121.087 -0.577 . . . . 0.0 113.325 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 23.2 p-10 -92.56 -6.87 48.67 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.526 0.203 . . . . 0.0 111.504 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 89.34 3.29 75.58 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.581 -0.819 . . . . 0.0 113.425 179.168 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -132.18 133.48 44.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 117.463 0.631 . . . . 0.0 110.712 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 0.467 ' HA ' HD23 ' A' ' 153' ' ' LEU . 7.6 mt -97.74 100.12 11.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.861 178.837 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 3.0 t -86.8 164.31 16.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.121 0.486 . . . . 0.0 111.606 -178.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 155' ' ' LEU . . . . . 0.472 HD11 ' CG ' ' A' ' 105' ' ' LYS . 3.1 mt -45.47 -44.96 12.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.1 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -56.46 -58.76 6.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.131 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -66.07 -14.84 62.42 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.706 -0.679 . . . . 0.0 112.585 -178.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 158' ' ' LEU . . . . . 0.76 HD11 HG13 ' A' ' 119' ' ' ILE . 10.9 mt -70.06 -50.15 43.99 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.919 0.39 . . . . 0.0 110.91 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 0.636 ' N ' HD23 ' A' ' 159' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.331 -0.233 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.478 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.233 0.208 0 CA-C-O 121.012 0.434 . . . . 0.0 110.846 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.98 -45.09 90.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.818 -0.628 . . . . 0.0 112.125 -179.267 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 m -58.99 -57.04 14.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.816 0.341 . . . . 0.0 111.566 -179.387 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -49.07 -51.5 31.06 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 -178.908 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 17.7 tpp180 -60.47 -44.54 95.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.773 0.321 . . . . 0.0 111.58 -178.534 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.781 HD13 HG23 ' A' ' 81' ' ' ILE . 17.0 mt -78.11 -35.19 49.53 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.144 0.424 . . . . 0.0 112.144 -178.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.5 tmtt? -57.84 -54.34 47.99 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.308 -179.428 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.0 mttp -59.69 -45.9 90.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.247 -179.664 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -48.94 -27.47 3.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.878 0.371 . . . . 0.0 111.346 -179.606 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.476 ' CD1' ' HB2' ' A' ' 77' ' ' GLU . 70.3 t80 -72.17 -51.7 20.02 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.712 -179.844 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -69.36 -26.26 64.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.711 179.729 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -76.97 -20.13 56.49 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.639 179.384 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -108.59 77.97 1.12 Allowed 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.844 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -153.51 82.01 1.17 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.537 0.684 . . . . 0.0 110.958 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -54.98 -48.82 72.77 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 114.836 -1.074 . . . . 0.0 112.59 -178.495 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 15.6 p-10 -97.11 -13.23 22.31 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 111.864 0.32 . . . . 0.0 111.864 -179.457 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 75.06 47.64 12.94 Favored Glycine 0 C--N 1.331 0.293 0 C-N-CA 120.584 -0.817 . . . . 0.0 112.483 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.5 p-10 -97.19 -8.97 28.72 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.235 0.457 . . . . 0.0 112.235 -179.454 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 80.32 22.75 62.16 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.373 -0.918 . . . . 0.0 112.52 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -155.72 172.52 18.18 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 110.318 -0.253 . . . . 0.0 110.318 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.5 mp -112.54 119.96 39.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.763 0.316 . . . . 0.0 110.648 179.621 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -119.28 168.51 10.84 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.049 179.494 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 39.3 ptt85 -71.59 -34.59 70.03 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.225 -179.472 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.67 -20.32 55.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.012 179.623 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 43.9 m-20 -70.92 -24.47 62.46 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.789 0.328 . . . . 0.0 110.275 179.547 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.436 ' HB3' ' HB3' ' A' ' 56' ' ' PHE . 19.0 m-85 -77.95 -35.15 50.7 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.266 -179.775 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -65.71 -37.59 86.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.817 0.341 . . . . 0.0 110.245 179.552 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.37 -45.44 72.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.811 179.687 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.409 ' O ' HG13 ' A' ' 36' ' ' ILE . 4.2 tt0 -47.94 -67.08 0.31 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.357 179.802 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -45.07 -47.54 11.9 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.938 0.399 . . . . 0.0 111.203 179.356 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -61.36 -55.9 26.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.969 -0.559 . . . . 0.0 109.868 179.543 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -52.7 -27.82 19.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.49 179.756 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.409 HG13 ' O ' ' A' ' 32' ' ' GLU . 96.2 mt -77.68 -57.54 5.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.55 179.122 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -40.92 -46.0 2.68 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.774 -179.622 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -57.89 -40.29 79.93 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.635 179.726 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.26 -27.54 69.41 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.728 179.257 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -90.97 1.23 57.21 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.602 -179.741 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 67.84 13.43 63.86 Favored Glycine 0 C--N 1.332 0.341 0 C-N-CA 120.705 -0.76 . . . . 0.0 113.304 179.516 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 56.3 mmtt -91.63 155.06 18.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.782 0.325 . . . . 0.0 110.761 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -70.84 129.8 40.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.363 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.536 ' O ' HG11 ' A' ' 49' ' ' VAL . . . -67.6 -15.63 63.76 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.799 -179.575 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -102.09 16.97 55.13 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.285 -0.96 . . . . 0.0 113.42 -179.19 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.05 -170.49 0.35 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.867 0.333 . . . . 0.0 110.772 179.354 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -89.5 -45.14 9.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.004 0.431 . . . . 0.0 111.076 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -62.2 -23.62 66.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.992 -179.087 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.536 HG11 ' O ' ' A' ' 44' ' ' ALA . 7.7 p -75.94 -45.13 37.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.457 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.491 ' N ' HG13 ' A' ' 49' ' ' VAL . 10.5 tt0 -61.9 -39.3 91.53 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 179.118 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 94.5 m -60.49 -54.98 39.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 109.965 178.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 11.6 tp -52.27 -59.54 4.28 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.515 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.3 mttt -50.93 -37.07 41.93 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 121.002 0.429 . . . . 0.0 110.025 179.348 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -58.6 -44.21 89.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.22 179.277 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.441 ' CB ' ' O ' ' A' ' 102' ' ' PRO . . . -69.37 -46.23 67.45 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.018 179.633 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.436 ' HB3' ' HB3' ' A' ' 29' ' ' PHE . 0.4 OUTLIER -55.12 -30.86 60.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.496 179.789 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -62.63 -51.11 58.4 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.508 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -61.89 -28.02 69.55 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.586 -0.816 . . . . 0.0 112.512 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.768 HD13 HG21 ' A' ' 103' ' ' VAL . 12.5 tp -56.84 -35.38 68.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.751 0.31 . . . . 0.0 110.622 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 50.7 t80 -64.52 -40.24 95.25 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.62 179.33 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -42.39 -51.69 4.84 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.629 -179.788 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.413 ' OH ' ' NE2' ' A' ' 91' ' ' GLN . 16.1 t80 -58.9 -35.1 72.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.035 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 86.5 mt -66.55 -60.19 2.95 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.797 0.332 . . . . 0.0 110.755 -179.714 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.814 ' HB1' ' O ' ' A' ' 69' ' ' VAL . . . -54.34 -45.07 72.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.349 179.724 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.37 -53.96 40.41 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.091 0.472 . . . . 0.0 110.519 179.819 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.528 ' HG2' HG13 ' A' ' 83' ' ' VAL . 5.4 tp10 -62.07 -41.47 98.19 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.017 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -77.2 -26.35 52.73 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.515 -179.403 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 64' ' ' ALA . . . 103.01 2.0 48.69 Favored Glycine 0 CA--C 1.521 0.429 0 C-N-CA 120.69 -0.767 . . . . 0.0 114.366 178.759 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.814 ' O ' ' HB1' ' A' ' 64' ' ' ALA . 31.6 m -102.96 173.41 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 117.244 0.522 . . . . 0.0 110.923 179.766 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -88.17 -179.63 46.98 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 121.146 -0.549 . . . . 0.0 114.117 -178.489 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.23 -16.41 61.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.332 -0.434 . . . . 0.0 111.643 178.754 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 7.4 p30 -111.73 14.41 21.13 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 111.622 0.231 . . . . 0.0 111.622 -179.679 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -93.79 -166.52 37.45 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.454 -0.879 . . . . 0.0 112.655 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -141.95 154.75 45.29 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.949 0.404 . . . . 0.0 111.369 -179.469 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.7 mp -113.15 136.61 52.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.362 179.56 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 5.6 p -83.84 -172.87 4.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.659 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.476 ' HB2' ' CD1' ' A' ' 13' ' ' PHE . 1.0 OUTLIER -81.45 -51.48 8.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.815 0.341 . . . . 0.0 110.453 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -55.5 -34.38 64.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.799 179.164 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -73.96 -42.06 61.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.947 179.125 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.465 ' CE1' ' OG1' ' A' ' 84' ' ' THR . 32.1 t80 -52.84 -51.42 61.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.79 179.194 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.781 HG23 HD13 ' A' ' 9' ' ' LEU . 10.7 mt -56.22 -49.14 77.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.215 -179.786 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.66 -50.61 72.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.327 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.528 HG13 ' HG2' ' A' ' 66' ' ' GLU . 32.4 t -72.89 -43.49 59.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.894 -179.406 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.465 ' OG1' ' CE1' ' A' ' 80' ' ' PHE . 79.5 m -60.6 -47.42 86.28 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.99 0.424 . . . . 0.0 110.229 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -53.03 -49.66 65.82 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.279 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.443 ' O ' ' N ' ' A' ' 90' ' ' GLU . 25.6 m120 -59.52 -40.06 85.9 Favored 'General case' 0 C--N 1.334 -0.083 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.346 -179.798 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 6.3 mt -58.33 -43.67 88.36 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.876 0.369 . . . . 0.0 110.28 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 10.2 mt -71.75 -34.5 52.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.247 179.757 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 30.6 m-85 -92.89 -74.81 0.51 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.606 -179.392 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 86' ' ' ASN . 0.0 OUTLIER -66.93 -157.17 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.981 -179.782 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.419 ' HB2' ' O ' ' A' ' 90' ' ' GLU . 3.3 mp0 70.32 -90.22 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.903 -179.741 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 128.69 -179.47 16.6 Favored Glycine 0 C--N 1.331 0.295 0 C-N-CA 120.202 -0.999 . . . . 0.0 113.172 179.638 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -59.05 -63.06 1.44 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.13 0.49 . . . . 0.0 110.874 179.66 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -59.03 -16.99 21.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.589 -0.732 . . . . 0.0 112.086 -179.334 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.91 -48.32 16.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.026 0.441 . . . . 0.0 110.454 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.596 ' CE1' HD22 ' A' ' 100' ' ' LEU . 0.3 OUTLIER -72.22 -38.01 69.08 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.823 179.591 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.445 ' HA ' HD13 ' A' ' 159' ' ' LEU . 16.8 m-20 -69.29 -35.65 76.24 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.396 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 5.7 mtp85 -62.14 -64.56 0.89 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.963 0.411 . . . . 0.0 111.482 -179.569 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 6.3 p -70.72 -39.69 76.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 112.842 0.682 . . . . 0.0 112.842 -177.878 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.596 HD22 ' CE1' ' A' ' 96' ' ' PHE . 2.7 tp -86.13 -26.58 25.14 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 119.967 -0.693 . . . . 0.0 112.217 -177.286 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -43.39 -62.87 2.31 Favored Glycine 0 CA--C 1.521 0.444 0 C-N-CA 120.521 -0.847 . . . . 0.0 112.329 179.465 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.441 ' O ' ' CB ' ' A' ' 55' ' ' ALA . 35.5 Cg_exo -59.02 -19.6 49.27 Favored 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 122.489 2.126 . . . . 0.0 112.049 179.432 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.768 HG21 HD13 ' A' ' 59' ' ' LEU . 6.2 t -78.15 -50.56 19.28 Favored 'Isoleucine or valine' 0 C--O 1.232 0.172 0 C-N-CA 120.857 -0.337 . . . . 0.0 110.829 -179.82 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.586 ' O ' HG23 ' A' ' 108' ' ' VAL . 59.0 t -69.66 -34.58 61.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.108 0.48 . . . . 0.0 110.263 178.874 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.83 -56.96 13.72 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.735 179.297 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -45.83 -35.58 6.12 Favored Glycine 0 C--N 1.331 0.255 0 C-N-CA 120.934 -0.65 . . . . 0.0 112.627 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.545 HG21 ' CZ2' ' A' ' 127' ' ' TRP . 13.5 mt -75.95 -39.01 36.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.628 0.251 . . . . 0.0 111.346 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.729 HG13 HD11 ' A' ' 119' ' ' ILE . 36.0 t -61.72 -35.05 65.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.965 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -61.67 -37.36 94.11 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.474 -0.869 . . . . 0.0 112.124 179.687 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -79.93 -26.47 40.11 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.525 0.202 . . . . 0.0 110.497 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 17.3 m -94.04 45.83 1.15 Allowed 'General case' 0 CA--C 1.52 -0.184 0 CA-C-O 121.334 0.588 . . . . 0.0 111.293 -178.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -166.68 108.33 0.69 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.221 -0.9 . . . . 0.0 110.313 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 2.3 mttp -95.03 3.35 54.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.425 179.041 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 25.4 p30 -104.37 -19.54 14.03 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-O 120.788 0.328 . . . . 0.0 110.596 179.484 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . 65.85 58.15 0.78 Allowed 'General case' 0 C--O 1.232 0.147 0 CA-C-N 116.283 -0.417 . . . . 0.0 112.006 179.099 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 55.6 p30 -114.59 -12.73 12.21 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.701 -0.227 . . . . 0.0 111.394 179.741 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 82.6 5.56 89.36 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.636 -0.793 . . . . 0.0 113.108 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -122.35 161.01 24.2 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.052 0.453 . . . . 0.0 111.516 -179.556 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.729 HD11 HG13 ' A' ' 108' ' ' VAL . 27.3 mm -108.81 99.99 9.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.823 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 120' ' ' ASN . . . . . 0.433 ' O ' ' N ' ' A' ' 123' ' ' GLU . 1.5 m120 -84.95 155.73 21.49 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 179.191 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -45.75 -36.63 5.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.582 0.23 . . . . 0.0 111.531 -178.707 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -70.1 -28.74 65.65 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.696 0.284 . . . . 0.0 110.371 179.305 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 120' ' ' ASN . 35.7 mt-10 -83.66 -47.62 11.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.614 -0.266 . . . . 0.0 110.782 179.331 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -55.8 -44.46 77.81 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.126 0.489 . . . . 0.0 110.453 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -58.21 -43.99 87.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.08 179.795 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -54.57 -32.7 59.01 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 115.921 -0.581 . . . . 0.0 112.553 -179.4 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 127' ' ' TRP . . . . . 0.602 ' NE1' HD11 ' A' ' 131' ' ' LEU . 15.8 t90 -89.49 -32.82 17.02 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.708 0.29 . . . . 0.0 111.671 -178.671 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.633 HD23 ' HG3' ' A' ' 133' ' ' MET . 0.1 OUTLIER -63.77 -46.18 86.4 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.922 0.391 . . . . 0.0 110.724 179.838 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 129' ' ' THR . . . . . 0.434 ' HA ' ' O ' ' A' ' 133' ' ' MET . 36.0 p -69.8 -22.34 63.32 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.994 178.704 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 130' ' ' ALA . . . . . 0.403 ' HB3' ' O ' ' A' ' 127' ' ' TRP . . . -66.36 -39.11 88.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.433 179.72 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.602 HD11 ' NE1' ' A' ' 127' ' ' TRP . 1.3 mt -88.36 -4.99 58.57 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 112.781 0.66 . . . . 0.0 112.781 -178.307 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 114.7 25.98 3.78 Favored Glycine 0 CA--C 1.517 0.218 0 C-N-CA 119.813 -1.185 . . . . 0.0 113.972 178.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 133' ' ' MET . . . . . 0.633 ' HG3' HD23 ' A' ' 128' ' ' LEU . 2.9 mmt -104.2 152.44 22.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 117.529 0.665 . . . . 0.0 110.615 179.422 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.18 160.07 24.45 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.863 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 3.2 mtpp -64.28 -22.13 66.84 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 111.952 0.353 . . . . 0.0 111.952 -178.849 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -81.71 -25.64 35.29 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.854 0.359 . . . . 0.0 111.403 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -73.19 -40.18 64.99 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.45 -179.63 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 138' ' ' ALA . . . . . 0.481 ' HA ' HD13 ' A' ' 128' ' ' LEU . . . -61.08 -56.22 23.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.866 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -47.51 -42.22 22.65 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.965 179.718 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -70.91 -45.32 64.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.334 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 141' ' ' ALA . . . . . 0.783 ' O ' HG23 ' A' ' 145' ' ' VAL . . . -64.04 -33.97 76.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.198 -179.524 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 81.1 t80 -56.69 -60.51 3.45 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.117 0.484 . . . . 0.0 110.197 179.327 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 67.6 m-20 -56.67 -34.95 67.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.542 -0.754 . . . . 0.0 112.537 -179.552 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -69.75 -28.58 65.9 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-O 120.725 0.298 . . . . 0.0 111.339 -179.005 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 145' ' ' VAL . . . . . 0.783 HG23 ' O ' ' A' ' 141' ' ' ALA . 44.6 t -85.78 -35.84 9.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.176 -0.466 . . . . 0.0 112.044 -178.465 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.75 78.08 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.047 0.451 . . . . 0.0 111.138 -179.388 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 147' ' ' THR . . . . . 0.448 ' N ' ' O ' ' A' ' 145' ' ' VAL . 0.0 OUTLIER -56.86 -31.36 64.72 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.675 179.463 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 48.6 p30 -97.85 5.11 49.45 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.23 -0.441 . . . . 0.0 112.074 -178.72 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 39.79 37.73 0.99 Allowed Glycine 0 C--N 1.335 0.511 0 C-N-CA 121.097 -0.573 . . . . 0.0 113.151 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 27.9 p-10 -92.89 -6.61 48.26 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 111.596 0.221 . . . . 0.0 111.596 -179.692 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 89.58 3.54 74.46 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.547 -0.835 . . . . 0.0 113.424 179.147 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -134.0 135.49 43.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 117.426 0.613 . . . . 0.0 110.772 179.751 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 153' ' ' LEU . 32.6 mt -102.91 100.04 9.98 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.915 178.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 23.9 p -88.29 171.77 9.93 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.281 0.562 . . . . 0.0 111.887 -178.787 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -50.79 -45.27 59.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.406 -0.815 . . . . 0.0 111.667 -179.604 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -57.15 -55.55 33.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.335 0.588 . . . . 0.0 111.106 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -64.79 -17.58 64.32 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.407 -0.815 . . . . 0.0 112.517 -178.496 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 158' ' ' LEU . . . . . 0.612 HD11 HG13 ' A' ' 119' ' ' ILE . 1.6 mt -72.6 -65.44 0.79 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.915 0.388 . . . . 0.0 110.944 179.479 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 0.445 HD13 ' HA ' ' A' ' 97' ' ' ASN . 3.0 mt . . . . . 0 N--CA 1.468 0.464 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.054 -179.722 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 30.2 mm . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.966 0.412 . . . . 0.0 111.228 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.25 -37.5 87.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.9 -179.403 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.9 t -59.68 -59.09 6.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.888 0.375 . . . . 0.0 110.862 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -45.3 -49.04 13.0 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.742 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.49 -46.15 89.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.68 -179.098 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.46 HD13 HG23 ' A' ' 81' ' ' ILE . 55.0 mt -76.08 -33.04 59.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.79 0.328 . . . . 0.0 111.223 -179.162 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.26 -47.99 83.49 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.459 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.5 mttt -66.25 -44.94 82.25 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.59 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.1 -28.66 1.84 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.723 179.598 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 43.1 t80 -75.36 -53.03 9.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.382 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -67.75 -28.3 67.52 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.543 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.7 ttp180 -76.55 -17.96 58.94 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.279 179.675 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -116.85 83.15 1.92 Allowed 'General case' 0 N--CA 1.455 -0.223 0 CA-C-O 121.079 0.466 . . . . 0.0 110.844 -179.839 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -153.41 86.36 1.22 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.574 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -52.92 -50.77 63.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.419 -0.81 . . . . 0.0 112.009 -178.821 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 26.6 p-10 -99.22 -11.32 21.42 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 -179.121 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 69.34 42.88 72.82 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.405 -0.902 . . . . 0.0 112.112 -179.691 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 20.0 p-10 -89.34 -4.85 57.93 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 111.81 0.3 . . . . 0.0 111.81 -179.322 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 82.17 18.98 65.78 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.561 -0.828 . . . . 0.0 112.811 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.513 ' HB1' ' HB3' ' A' ' 74' ' ' SER . . . -154.66 179.61 8.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.621 0.248 . . . . 0.0 110.552 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.3 tp -118.75 123.31 44.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.737 0.303 . . . . 0.0 110.63 179.772 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -115.76 170.7 8.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.015 0.436 . . . . 0.0 110.395 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.422 ' HA ' ' CD2' ' A' ' 60' ' ' PHE . 0.0 OUTLIER -69.59 -30.6 68.4 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.634 179.795 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.38 -16.26 63.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.132 179.585 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.29 -33.61 63.29 Favored 'General case' 0 C--O 1.232 0.146 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 179.095 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.425 ' HB3' ' HB3' ' A' ' 56' ' ' PHE . 57.1 m-85 -75.21 -41.18 58.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.386 179.561 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -64.47 -39.92 94.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.959 179.376 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 55.7 mttm -66.44 -40.54 89.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.127 0.489 . . . . 0.0 109.805 179.107 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.419 ' O ' HG13 ' A' ' 36' ' ' ILE . 4.9 tp10 -53.06 -60.46 3.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.063 179.432 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -45.2 -49.33 12.29 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.902 0.382 . . . . 0.0 111.316 179.768 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -62.37 -47.41 84.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.273 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 1.7 t-160 -57.04 -42.78 81.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.803 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.419 HG13 ' O ' ' A' ' 32' ' ' GLU . 19.9 mt -64.05 -56.28 17.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.719 179.652 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.461 ' HB1' HG22 ' A' ' 49' ' ' VAL . . . -42.48 -39.18 2.16 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 121.09 0.471 . . . . 0.0 111.021 179.652 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.38 -39.4 90.56 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.258 179.617 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.39 -25.94 64.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.971 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.429 ' CZ ' ' SG ' ' A' ' 111' ' ' CYS . 1.8 m-85 -91.94 3.21 55.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.389 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 51.68 72.01 0.57 Allowed Glycine 0 C--N 1.333 0.387 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.98 179.512 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -150.45 28.89 0.71 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.76 0.314 . . . . 0.0 110.377 179.716 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 60.48 131.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.187 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.91 -8.75 39.3 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.703 -0.68 . . . . 0.0 112.265 -179.483 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -104.06 13.86 52.3 Favored Glycine 0 CA--C 1.52 0.377 0 C-N-CA 120.216 -0.992 . . . . 0.0 114.146 -178.694 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.722 ' HB3' HG23 ' A' ' 49' ' ' VAL . . . -68.92 171.76 7.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 117.241 0.52 . . . . 0.0 111.151 179.416 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.59 -45.91 67.51 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.096 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -63.57 -20.89 66.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.499 -179.298 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.722 HG23 ' HB3' ' A' ' 46' ' ' ALA . 14.6 t -76.88 -45.73 30.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 179.521 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 36.2 tp60 -60.06 -39.1 84.86 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 178.733 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 14.6 m -57.42 -59.62 4.87 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.667 179.298 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 24.9 tp -50.69 -57.28 8.67 Favored 'General case' 0 C--N 1.332 -0.163 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.408 -179.525 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 11.0 tttp -49.78 -43.58 48.39 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.714 0.292 . . . . 0.0 110.436 179.44 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -57.65 -43.4 84.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.033 179.508 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.31 -51.47 36.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.681 179.331 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.425 ' HB3' ' HB3' ' A' ' 29' ' ' PHE . 0.1 OUTLIER -52.44 -28.49 20.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.601 179.689 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -67.55 -52.28 31.3 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.55 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -57.76 -28.42 60.27 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.643 -0.789 . . . . 0.0 111.999 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 51.5 tp -59.34 -39.24 82.54 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.712 0.291 . . . . 0.0 110.813 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.422 ' CD2' ' HA ' ' A' ' 26' ' ' ARG . 11.8 t80 -61.13 -43.48 98.82 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.239 179.468 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -43.87 -42.59 5.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.761 0.315 . . . . 0.0 111.11 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.433 ' O ' ' HB2' ' A' ' 66' ' ' GLU . 13.7 t80 -59.25 -41.87 89.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.493 179.613 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 59.5 mt -63.64 -54.29 38.02 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.115 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.709 ' HB1' ' O ' ' A' ' 69' ' ' VAL . . . -53.81 -48.72 69.6 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 16.0 tttt -64.4 -50.84 66.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.734 0.302 . . . . 0.0 111.386 -179.433 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.433 ' HB2' ' O ' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -62.64 -40.24 96.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.254 179.733 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -78.55 -25.33 45.41 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.815 0.341 . . . . 0.0 111.607 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 101.02 6.93 51.24 Favored Glycine 0 CA--C 1.52 0.397 0 C-N-CA 120.612 -0.804 . . . . 0.0 113.946 179.036 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.709 ' O ' ' HB1' ' A' ' 64' ' ' ALA . 35.2 m -106.04 170.92 2.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.845 0.322 . . . . 0.0 110.487 179.494 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -86.9 178.58 48.44 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.875 -0.679 . . . . 0.0 114.122 -178.45 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 54.5 m -65.21 -13.14 57.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.266 -0.467 . . . . 0.0 111.097 178.207 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -112.49 12.63 20.02 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 116.776 -0.193 . . . . 0.0 111.496 -179.746 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -94.66 -165.18 35.87 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.469 -0.872 . . . . 0.0 112.779 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.513 ' HB3' ' HB1' ' A' ' 23' ' ' ALA . 0.4 OUTLIER -144.15 157.04 44.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.845 0.355 . . . . 0.0 110.924 -179.759 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.7 mp -118.07 142.54 47.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.535 179.325 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 59.6 p -86.77 169.11 12.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.934 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -60.38 -48.51 81.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.609 179.702 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -59.11 -33.46 70.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.798 179.645 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.401 ' O ' HG12 ' A' ' 83' ' ' VAL . 1.1 mt-30 -73.21 -42.9 62.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.022 0.439 . . . . 0.0 110.189 179.336 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.424 ' CD1' ' OG1' ' A' ' 84' ' ' THR . 7.4 t80 -52.27 -52.78 50.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.606 179.364 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.46 HG23 HD13 ' A' ' 9' ' ' LEU . 62.7 mt -51.31 -53.78 14.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.877 -179.455 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -55.94 -57.19 13.13 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.395 0.517 . . . . 0.0 112.395 -179.036 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.401 HG12 ' O ' ' A' ' 79' ' ' GLN . 13.9 p -70.48 -36.73 67.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 111.957 0.354 . . . . 0.0 111.957 -179.059 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.424 ' OG1' ' CD1' ' A' ' 80' ' ' PHE . 99.6 m -62.7 -46.88 86.08 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.836 0.35 . . . . 0.0 110.143 179.753 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.41 ' HB2' ' O ' ' A' ' 81' ' ' ILE . 0.4 OUTLIER -49.69 -49.78 46.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.454 -179.743 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -58.29 -34.93 71.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.714 -179.25 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 6.2 mt -59.8 -48.78 80.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.767 0.317 . . . . 0.0 111.077 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 3.0 mt -73.67 -39.34 53.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.085 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 -88.06 -84.49 0.2 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.786 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -62.2 -161.88 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.821 0.343 . . . . 0.0 110.718 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 74.01 125.96 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.962 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -61.02 159.02 28.96 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.714 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.88 -54.41 45.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.887 0.375 . . . . 0.0 111.172 -179.658 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.86 -11.12 11.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.017 -0.538 . . . . 0.0 112.398 -179.682 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.8 t -74.56 -44.39 51.21 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.928 0.394 . . . . 0.0 111.016 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.531 ' CE1' HD22 ' A' ' 100' ' ' LEU . 0.2 OUTLIER -68.34 -42.71 78.9 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.096 0.474 . . . . 0.0 110.8 179.902 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 41.8 t30 -67.15 -35.42 79.66 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.342 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.89 -62.69 1.48 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.93 -179.456 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 21.6 t -74.3 -36.21 42.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 N-CA-C 112.64 0.607 . . . . 0.0 112.64 -177.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.531 HD22 ' CE1' ' A' ' 96' ' ' PHE . 5.4 tp -89.17 -27.11 20.9 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 119.72 -0.792 . . . . 0.0 111.806 -178.165 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.452 ' N ' ' HD2' ' A' ' 102' ' ' PRO . . . -40.55 -58.58 2.5 Favored Glycine 0 CA--C 1.522 0.501 0 C-N-CA 121.114 -0.565 . . . . 0.0 112.847 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.452 ' HD2' ' N ' ' A' ' 101' ' ' GLY . 29.4 Cg_endo -65.03 -11.39 29.61 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.55 2.167 . . . . 0.0 112.405 179.564 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 48.0 t -80.57 -54.98 9.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.933 0.397 . . . . 0.0 110.841 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.415 HG11 HD22 ' A' ' 158' ' ' LEU . 3.3 t -69.39 -35.82 68.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.89 179.771 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 21.6 mtpt -56.57 -55.26 36.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.82 179.542 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -46.09 -32.1 4.71 Favored Glycine 0 C--N 1.332 0.336 0 C-N-CA 121.04 -0.6 . . . . 0.0 112.788 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 42.9 mt -73.56 -40.37 55.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.134 0.492 . . . . 0.0 110.752 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.765 HG22 HD11 ' A' ' 119' ' ' ILE . 33.6 t -63.96 -35.02 72.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.659 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -65.41 -36.45 92.65 Favored Glycine 0 CA--C 1.518 0.253 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.858 -179.671 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 14.8 ptp -79.28 -24.95 42.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.799 0.299 . . . . 0.0 110.993 -179.349 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' CYS . . . . . 0.482 ' O ' ' N ' ' A' ' 113' ' ' LYS . 35.6 t -95.26 -84.99 0.33 Allowed 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.51 0.559 . . . . 0.0 112.51 -178.156 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' ASP . . . . . 0.459 ' O ' ' HB2' ' A' ' 113' ' ' LYS . 3.9 m-20 19.35 -81.02 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 124.332 1.053 . . . . 0.0 112.449 -178.587 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' A' ' 111' ' ' CYS . 0.1 OUTLIER 91.69 -20.77 0.11 Allowed 'General case' 0 N--CA 1.457 -0.124 0 C-N-CA 124.274 1.03 . . . . 0.0 111.422 -178.984 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 114' ' ' ASN . . . . . 0.411 ' O ' ' HB3' ' A' ' 115' ' ' ALA . 6.1 p30 -107.35 -22.45 12.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.669 0.271 . . . . 0.0 110.535 179.445 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.411 ' HB3' ' O ' ' A' ' 114' ' ' ASN . . . 67.42 64.66 0.41 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.655 179.462 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 37.7 p30 -125.28 -8.77 7.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.733 179.309 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 79.55 8.16 87.95 Favored Glycine 0 C--N 1.333 0.392 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.973 179.713 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.88 165.5 15.11 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.051 0.453 . . . . 0.0 111.394 -179.545 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.795 HG13 HD11 ' A' ' 158' ' ' LEU . 38.4 mm -110.33 98.53 7.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.832 -179.698 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -85.43 158.8 20.12 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 179.32 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.434 ' HA ' ' CD1' ' A' ' 142' ' ' PHE . . . -48.77 -37.25 18.49 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 111.567 0.21 . . . . 0.0 111.567 -178.862 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -70.23 -26.67 63.96 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 179.207 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -83.96 -46.8 11.68 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 178.819 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 124' ' ' PHE . . . . . 0.485 ' CE2' HD11 ' A' ' 128' ' ' LEU . 3.8 t80 -56.46 -52.41 64.78 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.962 0.411 . . . . 0.0 110.915 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.557 ' HA ' ' HB1' ' A' ' 138' ' ' ALA . . . -54.98 -44.21 74.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.075 -179.84 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -55.35 -32.45 62.56 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.519 -179.712 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 127' ' ' TRP . . . . . 0.472 ' O ' ' HB3' ' A' ' 130' ' ' ALA . 13.3 t90 -86.53 -40.67 15.02 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 111.62 0.23 . . . . 0.0 111.62 -179.129 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.485 HD11 ' CE2' ' A' ' 124' ' ' PHE . 0.2 OUTLIER -59.56 -42.82 93.29 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.021 0.438 . . . . 0.0 109.84 179.88 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 129' ' ' THR . . . . . 0.416 ' HA ' ' O ' ' A' ' 133' ' ' MET . 65.3 p -71.72 -22.92 61.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.911 178.4 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 130' ' ' ALA . . . . . 0.472 ' HB3' ' O ' ' A' ' 127' ' ' TRP . . . -66.41 -38.55 87.71 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.757 179.458 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 48.6 mt -84.82 -4.37 59.05 Favored 'General case' 0 CA--C 1.529 0.16 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 -178.609 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 112.67 25.82 4.43 Favored Glycine 0 C--N 1.332 0.321 0 C-N-CA 120.168 -1.015 . . . . 0.0 113.815 178.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 133' ' ' MET . . . . . 0.423 ' CG ' ' O ' ' A' ' 128' ' ' LEU . 3.4 mmt -100.08 154.25 18.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 117.159 0.479 . . . . 0.0 110.34 179.256 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -80.25 179.01 7.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.804 0.335 . . . . 0.0 111.147 -179.458 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.93 -32.61 45.67 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.842 -179.181 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -76.56 -26.06 54.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.856 0.36 . . . . 0.0 111.42 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -73.89 -44.98 53.53 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.944 -179.214 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 138' ' ' ALA . . . . . 0.557 ' HB1' ' HA ' ' A' ' 125' ' ' ALA . . . -58.05 -52.07 67.04 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.911 0.386 . . . . 0.0 110.671 -179.564 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -49.72 -40.4 40.48 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.105 179.399 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -71.6 -44.07 65.09 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.768 -179.515 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 141' ' ' ALA . . . . . 0.752 ' O ' HG23 ' A' ' 145' ' ' VAL . . . -63.6 -36.72 84.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.52 -179.077 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 142' ' ' PHE . . . . . 0.434 ' CD1' ' HA ' ' A' ' 121' ' ' ALA . 74.0 t80 -55.49 -59.85 4.25 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.652 179.605 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 32.5 m-80 -56.37 -35.38 67.64 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.852 -179.528 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -65.13 -34.18 77.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.505 -179.441 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 145' ' ' VAL . . . . . 0.752 HG23 ' O ' ' A' ' 141' ' ' ALA . 12.4 t -85.15 -34.32 8.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 112.577 0.584 . . . . 0.0 112.577 -178.429 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.1 78.35 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 121.141 0.496 . . . . 0.0 111.209 -179.081 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 147' ' ' THR . . . . . 0.457 ' N ' ' O ' ' A' ' 145' ' ' VAL . 4.0 m -56.39 -33.83 66.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.405 -0.816 . . . . 0.0 112.955 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 31.0 p30 -95.92 7.41 46.44 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.491 0.552 . . . . 0.0 112.491 -178.205 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 43.01 28.25 0.7 Allowed Glycine 0 C--N 1.332 0.325 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.844 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 28.4 p-10 -86.58 -7.04 58.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.774 0.321 . . . . 0.0 110.87 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 86.98 7.02 78.41 Favored Glycine 0 N--CA 1.444 -0.789 0 C-N-CA 120.691 -0.766 . . . . 0.0 113.108 179.337 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 74.9 mt-10 -133.07 133.45 43.02 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 117.528 0.664 . . . . 0.0 110.851 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 0.433 ' HB2' ' HB ' ' A' ' 119' ' ' ILE . 43.7 mt -98.37 101.5 12.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.154 179.11 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 9.6 p -89.19 167.48 13.07 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.242 0.544 . . . . 0.0 112.165 -178.807 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -49.91 -46.07 51.57 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.35 -0.841 . . . . 0.0 111.292 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -57.44 -54.76 43.21 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.066 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -64.67 -19.34 65.67 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.731 -0.668 . . . . 0.0 112.441 -178.775 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 158' ' ' LEU . . . . . 0.795 HD11 HG13 ' A' ' 119' ' ' ILE . 0.2 OUTLIER -72.01 -56.9 4.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.663 179.562 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 0.409 ' N ' HD23 ' A' ' 159' ' ' LEU . 2.5 mt . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.253 -179.645 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 23.9 mm . . . . . 0 N--CA 1.456 -0.173 0 CA-C-O 120.98 0.419 . . . . 0.0 110.235 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.44 -52.31 62.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.701 -0.682 . . . . 0.0 111.433 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.416 ' O ' ' HB2' ' A' ' 10' ' ' LYS . 2.4 p -58.98 -52.16 66.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.818 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.69 -52.77 54.55 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.634 -179.644 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.59 -46.07 90.01 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 -178.612 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.943 HD13 HG23 ' A' ' 81' ' ' ILE . 13.7 mt -75.27 -33.14 61.22 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 121.075 -0.25 . . . . 0.0 111.5 -178.871 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.416 ' HB2' ' O ' ' A' ' 6' ' ' SER . 0.6 OUTLIER -61.04 -44.64 97.09 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.844 0.354 . . . . 0.0 110.602 179.742 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.414 ' O ' ' N ' ' A' ' 15' ' ' ARG . 5.0 mmtm -68.65 -45.1 72.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.182 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -46.77 -33.86 4.76 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.983 0.42 . . . . 0.0 111.006 179.678 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -74.81 -54.53 7.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.874 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -69.51 -17.89 63.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.311 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.414 ' N ' ' O ' ' A' ' 11' ' ' LYS . 2.5 ttt180 -72.63 -21.94 61.03 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.723 0.297 . . . . 0.0 111.066 -179.646 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 43.1 m95 -97.02 -100.23 0.19 Allowed 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.875 179.652 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 42.25 72.04 0.19 Allowed 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 121.144 0.497 . . . . 0.0 111.413 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -53.91 -50.35 66.59 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.77 -178.875 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 41.1 p-10 -97.84 -11.88 22.77 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 111.767 0.284 . . . . 0.0 111.767 -179.594 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 78.33 43.48 12.88 Favored Glycine 0 C--N 1.331 0.28 0 C-N-CA 120.535 -0.84 . . . . 0.0 111.9 -179.294 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 32.3 p-10 -93.1 -12.62 30.04 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 111.855 0.317 . . . . 0.0 111.855 -179.488 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 81.69 20.83 62.92 Favored Glycine 0 C--N 1.332 0.309 0 C-N-CA 120.533 -0.842 . . . . 0.0 112.523 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.563 ' HB1' ' HB2' ' A' ' 74' ' ' SER . . . -153.92 173.35 16.07 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.654 0.264 . . . . 0.0 110.561 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 43.2 mt -113.89 115.13 27.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.8 0.333 . . . . 0.0 110.307 179.435 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -114.24 171.29 7.7 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.08 0.467 . . . . 0.0 110.425 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 8.4 ttt-85 -64.44 -32.06 73.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.568 179.617 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.11 -21.46 64.04 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.681 -0.691 . . . . 0.0 111.618 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.01 -32.48 70.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.798 0.332 . . . . 0.0 110.156 179.797 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 73.6 m-85 -78.4 -40.88 34.76 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.367 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 -62.25 -37.71 86.48 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.63 -0.259 . . . . 0.0 110.408 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -65.89 -44.4 85.39 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.967 0.413 . . . . 0.0 110.115 179.505 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.422 ' O ' HG12 ' A' ' 36' ' ' ILE . 0.6 OUTLIER -52.45 -53.15 49.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.512 179.834 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -50.44 -51.55 45.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.809 0.338 . . . . 0.0 110.734 179.48 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.54 -49.39 77.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.162 179.539 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 35.5 t-80 -51.99 -27.1 12.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.374 179.668 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.422 HG12 ' O ' ' A' ' 32' ' ' GLU . 17.6 mm -79.23 -53.45 13.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.023 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -46.12 -44.65 15.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.607 -179.713 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.77 -40.99 97.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.616 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -54.4 -24.15 18.66 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.722 0.296 . . . . 0.0 110.858 -179.367 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -91.85 5.05 51.42 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.496 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 57.7 16.69 24.38 Favored Glycine 0 C--N 1.336 0.538 0 C-N-CA 120.85 -0.69 . . . . 0.0 112.776 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.85 -153.3 0.35 Allowed 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 110.34 -0.244 . . . . 0.0 110.34 179.73 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -70.51 -163.5 0.07 Allowed 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.863 0.363 . . . . 0.0 111.088 -179.592 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.449 ' O ' HG11 ' A' ' 49' ' ' VAL . . . -141.4 -58.93 0.49 Allowed 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 178.131 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -92.94 22.8 32.24 Favored Glycine 0 N--CA 1.453 -0.222 0 CA-C-N 114.962 -1.017 . . . . 0.0 112.08 179.591 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.55 -163.76 0.06 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 117.343 0.571 . . . . 0.0 110.894 179.51 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -83.66 -51.77 7.0 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.848 0.356 . . . . 0.0 110.681 179.379 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.409 ' O ' HG22 ' A' ' 51' ' ' THR . 3.5 mp0 -54.48 -34.38 61.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.229 -179.549 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.449 HG11 ' O ' ' A' ' 44' ' ' ALA . 3.2 t -77.72 -43.1 29.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.004 179.569 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.08 -44.61 95.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.224 178.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.445 HG23 ' N ' ' A' ' 52' ' ' LEU . 14.4 t -61.62 -49.81 75.1 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.084 179.749 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.445 ' N ' HG23 ' A' ' 51' ' ' THR . 9.4 tp -53.89 -58.75 6.11 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 179.536 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.46 -37.41 56.98 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.353 179.038 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -57.66 -41.5 81.64 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.923 0.392 . . . . 0.0 110.231 179.669 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.71 -40.2 84.29 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.944 179.487 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -59.95 -32.8 71.15 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -62.81 -49.56 71.7 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.535 -0.84 . . . . 0.0 112.096 179.731 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -57.93 -33.93 70.28 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.717 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.45 ' O ' HD23 ' A' ' 59' ' ' LEU . 6.3 tt -55.65 -38.71 69.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.948 0.404 . . . . 0.0 110.481 179.69 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 37.5 t80 -62.18 -46.49 88.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.089 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -42.57 -48.61 5.4 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.495 -179.722 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.471 ' CE1' ' OE1' ' A' ' 66' ' ' GLU . 4.4 t80 -57.77 -37.98 74.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.103 -179.864 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 20.5 mt -66.47 -59.3 3.79 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.832 0.349 . . . . 0.0 110.956 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.813 ' HB1' ' O ' ' A' ' 69' ' ' VAL . . . -50.36 -46.21 55.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.816 -179.565 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.87 -51.1 61.64 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.939 0.399 . . . . 0.0 111.05 -179.793 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.471 ' OE1' ' CE1' ' A' ' 62' ' ' TYR . 2.6 tp10 -62.32 -40.65 97.05 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.886 179.649 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -79.09 -26.06 43.01 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.686 -179.56 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 103.16 4.37 47.6 Favored Glycine 0 CA--C 1.519 0.323 0 C-N-CA 120.527 -0.844 . . . . 0.0 113.857 179.066 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.813 ' O ' ' HB1' ' A' ' 64' ' ' ALA . 32.5 m -104.75 171.52 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.936 0.368 . . . . 0.0 110.565 179.531 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -88.24 -179.39 46.93 Favored Glycine 0 C--N 1.331 0.3 0 C-N-CA 120.837 -0.697 . . . . 0.0 113.978 -178.588 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.95 -12.64 52.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.402 -0.399 . . . . 0.0 111.153 178.296 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -113.45 13.89 18.99 Favored 'General case' 0 CA--C 1.53 0.175 0 N-CA-C 111.509 0.189 . . . . 0.0 111.509 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -94.54 -165.93 36.23 Favored Glycine 0 C--N 1.331 0.276 0 C-N-CA 120.451 -0.881 . . . . 0.0 112.809 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.563 ' HB2' ' HB1' ' A' ' 23' ' ' ALA . 0.1 OUTLIER -142.31 154.35 44.62 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.14 0.495 . . . . 0.0 111.729 -179.128 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -113.62 137.93 50.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.064 179.205 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 56.9 p -85.59 167.2 15.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.658 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -58.85 -50.83 72.51 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.045 0.45 . . . . 0.0 110.508 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -58.12 -32.78 68.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.648 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -73.62 -42.5 61.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.087 179.125 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -53.31 -52.76 58.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.964 179.513 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.943 HG23 HD13 ' A' ' 9' ' ' LEU . 56.7 mt -53.47 -51.57 40.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.766 -179.42 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 93.4 mtt180 -55.85 -54.35 45.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.618 -179.555 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 45.1 t -70.58 -35.89 63.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 C-N-CA 120.965 -0.294 . . . . 0.0 111.277 -179.557 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 28.9 m -61.78 -47.91 83.03 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 179.249 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -46.06 -57.39 4.49 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.111 179.343 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.433 ' O ' ' N ' ' A' ' 90' ' ' GLU . 0.9 OUTLIER -59.74 -35.91 75.54 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.372 -179.849 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.1 mt -58.94 -45.21 91.01 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.884 0.374 . . . . 0.0 110.586 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 5.2 mt -74.39 -38.86 47.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.523 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 -91.27 -79.15 0.37 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 86' ' ' ASN . 1.7 tt0 -57.19 -159.51 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.948 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 68.3 -89.2 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.767 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 129.8 -179.89 16.48 Favored Glycine 0 C--N 1.331 0.298 0 C-N-CA 120.105 -1.045 . . . . 0.0 113.42 179.678 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -60.44 -65.18 0.73 Allowed 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.192 0.442 . . . . 0.0 112.192 -179.533 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -55.07 -18.28 5.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.769 -0.65 . . . . 0.0 112.641 -178.393 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 65.2 m -77.1 -46.5 23.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.975 0.417 . . . . 0.0 110.385 179.568 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -71.5 -40.12 70.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.905 179.487 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 23.8 t30 -68.69 -36.25 78.24 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.005 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 66.4 ttt180 -63.01 -60.49 3.38 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.561 -179.519 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 46.3 t -76.0 -35.84 30.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 N-CA-C 112.489 0.552 . . . . 0.0 112.489 -178.31 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 9.9 tp -88.97 -25.97 21.75 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 119.668 -0.813 . . . . 0.0 111.922 -178.169 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.429 ' N ' ' HD2' ' A' ' 102' ' ' PRO . . . -42.56 -62.59 2.15 Favored Glycine 0 CA--C 1.52 0.397 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.457 179.531 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.429 ' HD2' ' N ' ' A' ' 101' ' ' GLY . 26.9 Cg_endo -61.52 -16.57 48.67 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.902 2.402 . . . . 0.0 112.152 179.261 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 89.0 t -80.57 -51.75 15.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.164 179.708 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.538 ' O ' HG23 ' A' ' 108' ' ' VAL . 5.6 t -69.7 -34.5 61.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.134 179.013 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.41 ' HB2' ' O ' ' A' ' 101' ' ' GLY . 1.0 OUTLIER -56.7 -54.27 48.14 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.324 179.082 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -46.92 -37.84 9.8 Favored Glycine 0 C--N 1.331 0.263 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.119 179.749 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 5.9 mt -74.36 -39.79 49.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.841 0.353 . . . . 0.0 111.09 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.853 HG13 HD11 ' A' ' 119' ' ' ILE . 85.9 t -62.8 -34.1 63.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.626 179.764 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -60.86 -38.76 95.85 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.107 179.493 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 22.2 mtp -79.79 -25.15 41.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.747 0.308 . . . . 0.0 110.23 179.5 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 49.2 t -92.37 42.49 1.1 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.176 0.512 . . . . 0.0 111.388 -178.818 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -167.41 109.15 0.63 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.475 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.03 3.36 54.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.375 178.751 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -103.98 -15.5 15.6 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-O 120.566 0.222 . . . . 0.0 110.925 179.721 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . 65.34 58.49 0.85 Allowed 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 112.076 0.398 . . . . 0.0 112.076 179.247 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 52.8 p-10 -115.65 -13.9 11.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.259 179.393 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 79.6 10.1 86.18 Favored Glycine 0 C--N 1.333 0.379 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.988 179.74 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -123.33 163.11 21.4 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.01 0.434 . . . . 0.0 111.385 -179.395 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.853 HD11 HG13 ' A' ' 108' ' ' VAL . 34.5 mm -109.95 100.4 10.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.33 -179.633 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 120' ' ' ASN . . . . . 0.405 ' O ' ' N ' ' A' ' 123' ' ' GLU . 1.1 m120 -83.43 160.85 21.48 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 179.389 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -51.32 -36.95 45.14 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.8 0.333 . . . . 0.0 110.574 -179.511 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.79 -26.04 64.08 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 178.693 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 123' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 120' ' ' ASN . 7.4 mt-10 -83.52 -47.71 11.04 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.317 -0.401 . . . . 0.0 109.926 178.796 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 124' ' ' PHE . . . . . 0.551 ' O ' HD12 ' A' ' 128' ' ' LEU . 2.7 t80 -57.63 -46.9 83.54 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.96 0.41 . . . . 0.0 110.567 179.61 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -57.24 -47.03 82.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.961 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -54.23 -31.92 54.54 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.648 -179.577 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 27.2 t90 -82.94 -42.07 18.08 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 111.999 0.37 . . . . 0.0 111.999 -178.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.743 HD22 ' HA ' ' A' ' 138' ' ' ALA . 0.7 OUTLIER -60.24 -44.16 95.48 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.71 0.29 . . . . 0.0 111.329 -179.255 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 129' ' ' THR . . . . . 0.44 ' HA ' ' O ' ' A' ' 133' ' ' MET . 0.6 OUTLIER -71.09 -22.26 62.12 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.771 -0.372 . . . . 0.0 110.408 179.207 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -67.93 -38.82 83.34 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.989 179.354 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 14.4 mt -86.85 -1.75 58.04 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -178.506 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 110.01 26.72 4.84 Favored Glycine 0 CA--C 1.518 0.255 0 C-N-CA 120.007 -1.092 . . . . 0.0 113.862 178.871 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 133' ' ' MET . . . . . 0.44 ' O ' ' HA ' ' A' ' 129' ' ' THR . 9.4 mmt -103.23 153.94 19.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 117.309 0.554 . . . . 0.0 110.56 179.394 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 13.6 t -82.01 156.87 24.43 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.797 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.58 -22.38 65.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.721 0.296 . . . . 0.0 111.515 -179.438 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -81.36 -27.2 34.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.946 0.403 . . . . 0.0 110.968 179.686 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -72.34 -39.9 67.81 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.63 -179.284 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 138' ' ' ALA . . . . . 0.743 ' HA ' HD22 ' A' ' 128' ' ' LEU . . . -60.37 -54.94 39.59 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.981 0.42 . . . . 0.0 110.643 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -49.38 -42.91 43.55 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.238 179.572 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -69.8 -49.71 50.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.689 -179.421 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -61.69 -36.23 80.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.607 -178.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 142' ' ' PHE . . . . . 0.558 ' O ' HG12 ' A' ' 145' ' ' VAL . 40.3 t80 -55.6 -58.73 6.59 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.09 179.714 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -58.19 -34.17 70.07 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 116.016 -0.538 . . . . 0.0 112.221 -179.633 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -65.58 -39.09 91.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.147 -0.479 . . . . 0.0 112.061 -178.731 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 145' ' ' VAL . . . . . 0.878 HG13 HD21 ' A' ' 153' ' ' LEU . 8.7 p -83.48 -33.96 10.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.201 -0.454 . . . . 0.0 112.173 -178.094 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.56 77.69 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.322 -179.008 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 147' ' ' THR . . . . . 0.456 ' N ' ' O ' ' A' ' 145' ' ' VAL . 1.4 m -58.85 -32.23 69.23 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.882 -0.599 . . . . 0.0 112.132 179.478 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 148' ' ' ASN . . . . . 0.417 ' ND2' ' OE1' ' A' ' 157' ' ' GLU . 49.4 p30 -94.57 2.69 55.66 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 -178.006 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 40.7 35.77 0.95 Allowed Glycine 0 C--N 1.332 0.349 0 C-N-CA 121.081 -0.581 . . . . 0.0 113.42 179.55 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 27.6 p-10 -91.65 -6.04 52.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.677 0.275 . . . . 0.0 111.405 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 85.83 7.34 81.33 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.734 -0.746 . . . . 0.0 113.35 179.147 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -135.17 135.99 41.49 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 117.287 0.543 . . . . 0.0 111.143 -179.772 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 0.878 HD21 HG13 ' A' ' 145' ' ' VAL . 8.1 mt -101.71 105.54 16.46 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.828 179.264 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.03 169.31 10.52 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.163 0.506 . . . . 0.0 111.761 -179.606 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 155' ' ' LEU . . . . . 0.4 ' O ' ' HB2' ' A' ' 158' ' ' LEU . 6.3 tp -51.07 -45.56 61.44 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.178 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.12 -55.83 28.23 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.255 -179.52 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 157' ' ' GLU . . . . . 0.417 ' OE1' ' ND2' ' A' ' 148' ' ' ASN . 5.8 mt-10 -65.41 -13.67 59.19 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 -178.698 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 158' ' ' LEU . . . . . 0.531 HD11 HG13 ' A' ' 119' ' ' ILE . 0.4 OUTLIER -71.33 -39.01 71.64 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.041 0.448 . . . . 0.0 110.325 179.282 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 1.3 mt . . . . . 0 C--N 1.331 -0.216 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.351 179.741 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 29.0 mt . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.974 0.416 . . . . 0.0 111.533 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.05 -42.82 99.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.867 -179.182 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -61.15 -55.51 31.52 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.718 -179.429 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -46.92 -51.61 16.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.002 -0.544 . . . . 0.0 112.402 -178.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.35 -45.02 93.13 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 111.813 0.301 . . . . 0.0 111.813 -178.699 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.87 HD12 HG23 ' A' ' 81' ' ' ILE . 11.8 mt -75.39 -27.92 59.26 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.655 0.264 . . . . 0.0 111.547 -179.183 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -61.05 -55.99 26.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.665 0.269 . . . . 0.0 110.993 -179.574 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.417 ' O ' ' HB2' ' A' ' 15' ' ' ARG . 0.1 OUTLIER -56.32 -46.7 79.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.537 -0.302 . . . . 0.0 111.093 -179.803 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -45.64 -28.47 0.99 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.918 0.39 . . . . 0.0 110.992 179.635 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 43.2 t80 -74.58 -59.1 2.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.079 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -70.06 -25.83 63.73 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.888 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.417 ' HB2' ' O ' ' A' ' 11' ' ' LYS . 0.1 OUTLIER -73.13 -16.94 61.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.539 -0.301 . . . . 0.0 111.026 179.932 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.401 ' CH2' ' CE2' ' A' ' 29' ' ' PHE . 2.9 t90 -108.3 14.14 25.12 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 111.773 0.286 . . . . 0.0 111.773 -179.76 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.87 77.64 5.33 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.976 0.417 . . . . 0.0 110.003 179.257 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -54.78 -50.59 68.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.673 -178.827 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 15.1 p-10 -97.35 -14.18 21.42 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 111.643 0.238 . . . . 0.0 111.643 -179.567 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 77.18 45.61 11.29 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.5 -0.857 . . . . 0.0 112.042 -179.587 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 38.7 p-10 -92.04 -10.22 39.95 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 111.777 0.288 . . . . 0.0 111.777 -179.456 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 79.34 20.49 69.33 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.53 -0.843 . . . . 0.0 112.187 -179.633 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -154.08 179.3 9.06 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.1 tp -115.46 117.56 30.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.897 0.38 . . . . 0.0 111.056 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -114.69 168.07 10.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.424 179.79 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 56.7 ttt180 -69.09 -29.68 67.82 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.391 -179.487 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.37 -18.28 64.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.282 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.48 -27.37 62.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.996 0.426 . . . . 0.0 110.114 179.22 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.401 ' CE2' ' CH2' ' A' ' 16' ' ' TRP . 37.1 m-85 -78.0 -40.83 37.84 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.179 -179.506 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -65.65 -36.94 85.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.366 179.442 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.57 -45.32 79.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.953 0.406 . . . . 0.0 110.42 179.419 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.449 ' OE1' ' CE2' ' A' ' 56' ' ' PHE . 2.1 tm-20 -51.07 -57.03 9.74 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.292 179.773 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.514 ' HB3' ' HG2' ' A' ' 53' ' ' LYS . . . -51.0 -45.8 61.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.053 0.454 . . . . 0.0 110.343 179.37 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.42 ' CG ' ' HE3' ' A' ' 53' ' ' LYS . 2.3 mm100 -61.85 -52.86 62.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.734 -0.667 . . . . 0.0 109.915 179.136 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 8.8 t60 -55.69 -29.9 60.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.495 179.74 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.459 ' O ' ' HB3' ' A' ' 39' ' ' ALA . 17.0 mm -78.12 -54.6 12.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.825 179.795 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -43.97 -48.26 8.62 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.708 0.29 . . . . 0.0 111.341 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.78 -36.25 71.91 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 179.204 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.459 ' HB3' ' O ' ' A' ' 36' ' ' ILE . . . -58.77 -33.76 70.65 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 178.914 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -90.13 2.59 55.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.702 179.089 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.415 ' O ' ' HB2' ' A' ' 42' ' ' LYS . . . 71.61 -148.77 44.06 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 121.041 -0.599 . . . . 0.0 112.738 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.415 ' HB2' ' O ' ' A' ' 41' ' ' GLY . 12.9 mttt 69.29 -99.02 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 122.717 0.407 . . . . 0.0 111.544 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -170.68 133.58 1.0 Allowed 'General case' 0 C--O 1.232 0.14 0 C-N-CA 120.726 -0.39 . . . . 0.0 111.702 -179.439 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.568 ' O ' HG11 ' A' ' 49' ' ' VAL . . . -68.49 -9.34 48.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.598 179.712 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -102.44 14.41 56.62 Favored Glycine 0 C--N 1.332 0.352 0 C-N-CA 120.526 -0.845 . . . . 0.0 113.578 -179.002 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.87 -171.42 0.14 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.906 0.384 . . . . 0.0 110.863 179.575 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -88.9 -45.0 10.05 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.007 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -63.92 -20.06 65.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.955 -0.566 . . . . 0.0 112.167 -178.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.568 HG11 ' O ' ' A' ' 44' ' ' ALA . 8.4 p -76.48 -43.19 35.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 C-N-CA 120.575 -0.45 . . . . 0.0 109.802 179.506 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.435 ' N ' HG13 ' A' ' 49' ' ' VAL . 60.0 tp60 -60.04 -42.72 95.05 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 178.505 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 94.1 m -57.75 -56.3 23.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.596 178.864 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 31.2 tp -50.33 -60.56 2.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.205 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.514 ' HG2' ' HB3' ' A' ' 33' ' ' ALA . 12.9 mtpt -50.93 -39.3 54.35 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.754 -0.203 . . . . 0.0 110.69 179.517 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -59.55 -42.18 91.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.725 0.298 . . . . 0.0 110.464 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.05 -37.8 78.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.978 0.418 . . . . 0.0 110.577 179.095 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.451 ' HD2' ' HB2' ' A' ' 33' ' ' ALA . 0.5 OUTLIER -64.28 -32.15 73.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.741 179.753 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -66.53 -51.6 41.05 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.444 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -54.75 -31.94 54.25 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.583 -0.818 . . . . 0.0 112.713 -179.676 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.56 HD11 ' CD2' ' A' ' 100' ' ' LEU . 0.5 OUTLIER -58.33 -38.12 76.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.663 0.268 . . . . 0.0 110.733 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.401 ' O ' ' N ' ' A' ' 63' ' ' LEU . 46.2 t80 -59.72 -47.65 84.81 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 179.526 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -42.17 -48.9 4.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.415 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.412 ' O ' ' HB2' ' A' ' 66' ' ' GLU . 87.1 t80 -58.68 -36.08 73.62 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.929 0.395 . . . . 0.0 110.474 179.525 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.458 ' HB3' HD21 ' A' ' 75' ' ' LEU . 24.2 mt -64.6 -55.98 16.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.837 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.851 ' HB1' ' O ' ' A' ' 69' ' ' VAL . . . -54.82 -45.95 74.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.86 0.362 . . . . 0.0 111.307 179.693 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 27.0 ttpt -64.77 -53.94 39.14 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.973 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.412 ' HB2' ' O ' ' A' ' 62' ' ' TYR . 6.2 tm-20 -61.92 -41.22 97.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.025 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.414 ' HB2' HD23 ' A' ' 75' ' ' LEU . . . -77.87 -27.1 49.63 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.825 0.345 . . . . 0.0 111.583 -179.617 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 103.22 0.43 47.6 Favored Glycine 0 CA--C 1.521 0.454 0 C-N-CA 120.501 -0.857 . . . . 0.0 114.049 179.08 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.851 ' O ' ' HB1' ' A' ' 64' ' ' ALA . 29.5 m -101.27 173.04 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.962 0.381 . . . . 0.0 110.421 179.63 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -86.68 177.19 48.27 Favored Glycine 0 C--N 1.331 0.297 0 C-N-CA 120.88 -0.676 . . . . 0.0 114.487 -178.072 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 69.3 m -64.52 -15.6 61.17 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.21 -0.495 . . . . 0.0 110.983 178.247 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -110.66 13.25 22.52 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.005 179.638 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -96.21 -163.5 33.34 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.694 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -143.6 156.37 44.56 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.991 0.425 . . . . 0.0 111.341 -179.681 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.458 HD21 ' HB3' ' A' ' 63' ' ' LEU . 2.7 mp -118.78 140.01 50.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.062 179.317 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 54.5 p -85.53 176.03 8.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.854 0.359 . . . . 0.0 111.374 -179.512 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -65.72 -48.88 70.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.963 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -58.99 -34.62 72.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.659 179.695 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -74.34 -43.74 55.35 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.08 0.467 . . . . 0.0 110.404 179.373 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.473 ' CE1' ' OG1' ' A' ' 84' ' ' THR . 34.0 t80 -51.58 -57.54 8.83 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.735 179.444 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.87 HG23 HD12 ' A' ' 9' ' ' LEU . 9.1 mt -53.43 -44.22 54.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.566 -179.458 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 2.6 tpp180 -59.46 -56.71 18.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.789 -179.689 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 13.1 p -71.04 -35.89 61.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 N-CA-C 111.873 0.324 . . . . 0.0 111.873 -179.234 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.473 ' OG1' ' CE1' ' A' ' 80' ' ' PHE . 95.1 m -63.37 -45.57 90.54 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.846 0.355 . . . . 0.0 110.714 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.83 -43.55 90.68 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.998 -0.547 . . . . 0.0 112.195 -179.174 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.436 ' O ' ' N ' ' A' ' 90' ' ' GLU . 1.7 m-80 -56.87 -39.5 74.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.768 -179.383 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.597 HD11 ' CE2' ' A' ' 96' ' ' PHE . 0.6 OUTLIER -60.24 -41.29 92.86 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.731 0.301 . . . . 0.0 111.409 -179.61 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.401 ' N ' ' HG ' ' A' ' 87' ' ' LEU . 4.9 mt -71.96 -46.96 57.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.915 0.388 . . . . 0.0 111.18 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -88.44 -72.6 0.53 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.48 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 86' ' ' ASN . 1.4 tp10 -63.88 -159.77 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.332 179.237 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 7.6 mm100 63.44 -88.73 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.059 179.756 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 142.98 170.74 13.06 Favored Glycine 0 C--N 1.334 0.457 0 C-N-CA 120.396 -0.907 . . . . 0.0 113.184 179.692 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.57 -56.1 25.57 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 121.113 0.482 . . . . 0.0 111.254 -179.826 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.4 ' O ' ' HB2' ' A' ' 98' ' ' ARG . . . -57.92 -15.34 8.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.533 -0.758 . . . . 0.0 112.442 -178.873 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -77.22 -44.65 29.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.86 0.362 . . . . 0.0 110.62 179.636 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.597 ' CE2' HD11 ' A' ' 87' ' ' LEU . 1.9 t80 -68.67 -43.67 75.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.896 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -67.83 -37.0 81.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.158 -179.669 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.4 ' HB2' ' O ' ' A' ' 94' ' ' ALA . 71.5 ttt180 -63.98 -64.33 0.92 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.814 -179.338 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 5.5 p -69.42 -39.41 78.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 N-CA-C 112.756 0.65 . . . . 0.0 112.756 -178.004 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.909 HD13 ' HB ' ' A' ' 103' ' ' VAL . 0.2 OUTLIER -87.69 -25.9 23.25 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 120.093 -0.643 . . . . 0.0 111.915 -177.623 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.448 ' N ' ' HD2' ' A' ' 102' ' ' PRO . . . -42.59 -60.63 2.78 Favored Glycine 0 CA--C 1.521 0.456 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.715 179.603 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.448 ' HD2' ' N ' ' A' ' 101' ' ' GLY . 30.0 Cg_endo -62.26 -15.5 44.98 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.693 2.262 . . . . 0.0 112.167 179.476 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.909 ' HB ' HD13 ' A' ' 100' ' ' LEU . 89.5 t -82.62 -50.88 15.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.786 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.769 HG23 HD12 ' A' ' 100' ' ' LEU . 94.2 t -70.12 -34.61 59.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.959 0.409 . . . . 0.0 110.456 179.214 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 5.5 tttt -54.87 -60.3 3.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.296 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -42.05 -34.39 1.43 Allowed Glycine 0 C--N 1.333 0.401 0 C-N-CA 121.017 -0.611 . . . . 0.0 112.821 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.589 HG21 ' CZ2' ' A' ' 127' ' ' TRP . 26.3 mt -73.61 -40.88 55.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.653 0.263 . . . . 0.0 111.311 -179.751 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.771 HG22 HD11 ' A' ' 119' ' ' ILE . 73.7 t -61.59 -33.95 59.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.703 179.799 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -68.26 -31.98 75.35 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.69 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -80.43 -27.92 37.87 Favored 'General case' 0 C--N 1.332 -0.184 0 O-C-N 122.833 -0.216 . . . . 0.0 111.08 -179.753 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 62.0 m -90.99 -28.63 17.88 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 113.334 0.864 . . . . 0.0 113.334 -177.219 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' ASP . . . . . 0.438 ' O ' ' HB2' ' A' ' 113' ' ' LYS . 57.5 m-20 -64.26 -73.65 0.12 Allowed 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.011 -0.676 . . . . 0.0 110.201 -179.336 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.438 ' HB2' ' O ' ' A' ' 112' ' ' ASP . 0.0 OUTLIER 83.66 -7.08 1.12 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.435 -178.527 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 114' ' ' ASN . . . . . 0.553 ' O ' ' HB3' ' A' ' 115' ' ' ALA . 11.0 p30 -107.19 -18.92 13.76 Favored 'General case' 0 CA--C 1.529 0.165 0 N-CA-C 110.132 -0.321 . . . . 0.0 110.132 178.803 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.553 ' HB3' ' O ' ' A' ' 114' ' ' ASN . . . 77.1 54.14 0.04 OUTLIER 'General case' 0 N--CA 1.462 0.133 0 N-CA-C 112.457 0.54 . . . . 0.0 112.457 178.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 47.6 p-10 -115.62 -16.96 11.25 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 121.003 -0.279 . . . . 0.0 111.239 179.562 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 77.29 13.46 83.57 Favored Glycine 0 CA--C 1.519 0.343 0 C-N-CA 120.864 -0.684 . . . . 0.0 113.021 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -125.2 165.76 17.69 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.03 0.443 . . . . 0.0 111.747 -179.182 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.771 HD11 HG22 ' A' ' 108' ' ' VAL . 18.2 mm -112.85 99.95 9.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.778 -179.237 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 120' ' ' ASN . . . . . 0.406 ' O ' ' N ' ' A' ' 123' ' ' GLU . 2.3 m-80 -83.68 158.37 21.85 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 179.332 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -47.61 -38.13 13.96 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.979 -0.288 . . . . 0.0 111.22 -178.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.33 -28.96 66.69 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 179.205 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 123' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 120' ' ' ASN . 12.0 mt-10 -80.99 -44.93 17.39 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 178.678 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 124' ' ' PHE . . . . . 0.608 ' CE2' HD11 ' A' ' 128' ' ' LEU . 5.6 t80 -55.58 -51.31 67.54 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.978 179.702 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -57.1 -42.26 80.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.079 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -55.61 -33.87 64.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.138 -0.483 . . . . 0.0 112.041 -179.544 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 127' ' ' TRP . . . . . 0.589 ' CZ2' HG21 ' A' ' 107' ' ' ILE . 10.5 t90 -85.84 -41.39 15.05 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 111.922 0.342 . . . . 0.0 111.922 -178.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.608 HD11 ' CE2' ' A' ' 124' ' ' PHE . 0.2 OUTLIER -59.5 -44.54 93.08 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.864 0.364 . . . . 0.0 110.825 -179.585 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 1.7 p -70.05 -25.48 63.57 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.031 -0.532 . . . . 0.0 109.885 178.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 130' ' ' ALA . . . . . 0.421 ' HB3' ' O ' ' A' ' 127' ' ' TRP . . . -64.92 -37.44 87.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.37 179.132 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 95.7 mt -86.28 -7.26 58.64 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 -178.699 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 112.78 27.12 3.9 Favored Glycine 0 CA--C 1.518 0.28 0 C-N-CA 119.954 -1.117 . . . . 0.0 113.88 178.879 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 133' ' ' MET . . . . . . . . . . . . . 2.2 mmt -102.4 153.13 20.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 117.27 0.535 . . . . 0.0 110.079 179.041 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -80.78 166.03 21.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.888 0.375 . . . . 0.0 111.134 -179.552 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.07 -19.36 64.08 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.042 -0.527 . . . . 0.0 112.082 -179.022 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -84.95 -25.54 27.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.785 0.326 . . . . 0.0 111.46 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -73.42 -42.4 62.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.683 -179.352 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -58.31 -58.81 6.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.956 0.408 . . . . 0.0 110.589 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -47.33 -43.33 22.71 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.058 179.415 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.54 -48.45 55.42 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.65 -179.553 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -61.75 -36.4 80.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.038 0.447 . . . . 0.0 111.15 -179.307 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 142' ' ' PHE . . . . . 0.537 ' O ' HG12 ' A' ' 145' ' ' VAL . 55.4 t80 -52.41 -59.83 3.96 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.205 179.188 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -58.67 -35.03 71.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.465 -0.789 . . . . 0.0 112.452 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -67.16 -38.25 85.15 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 -178.754 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 145' ' ' VAL . . . . . 1.054 HG13 HD21 ' A' ' 153' ' ' LEU . 11.9 p -83.1 -34.54 11.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.71 -178.262 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.84 78.12 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.176 -179.452 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 147' ' ' THR . . . . . 0.443 ' N ' ' O ' ' A' ' 145' ' ' VAL . 5.9 m -58.19 -28.95 65.27 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.817 179.192 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 39.8 p30 -98.41 1.67 47.09 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.548 0.573 . . . . 0.0 112.548 -178.208 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 38.32 39.01 0.68 Allowed Glycine 0 C--N 1.337 0.621 0 C-N-CA 121.237 -0.506 . . . . 0.0 113.558 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 40.4 p-10 -94.15 -5.66 46.62 Favored 'General case' 0 CA--C 1.531 0.226 0 N-CA-C 111.62 0.23 . . . . 0.0 111.62 -179.694 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 90.06 1.96 75.27 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.489 -0.862 . . . . 0.0 113.517 179.224 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 65.1 mt-10 -133.04 134.26 44.14 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 117.499 0.649 . . . . 0.0 110.804 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 1.054 HD21 HG13 ' A' ' 145' ' ' VAL . 12.3 mt -99.88 104.49 16.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.931 179.572 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -89.3 158.83 17.67 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.919 0.39 . . . . 0.0 111.142 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 155' ' ' LEU . . . . . 0.782 ' HA ' HD12 ' A' ' 158' ' ' LEU . 0.9 OUTLIER -40.95 -41.24 1.58 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.919 -179.615 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 60.6 t0 -57.01 -56.91 15.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.218 0.532 . . . . 0.0 111.387 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -64.28 -14.91 58.77 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.33 -0.85 . . . . 0.0 112.908 -178.391 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 158' ' ' LEU . . . . . 0.782 HD12 ' HA ' ' A' ' 155' ' ' LEU . 21.4 mt -70.64 -38.73 73.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.674 0.273 . . . . 0.0 110.82 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 0.498 ' N ' HD23 ' A' ' 159' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.331 -0.235 0 CA-C-O 120.958 0.409 . . . . 0.0 110.349 179.474 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 3.0 mp . . . . . 0 N--CA 1.464 0.262 0 CA-C-O 120.849 0.357 . . . . 0.0 111.781 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.58 -33.6 76.04 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -179.013 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.9 t -60.34 -55.0 38.95 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.755 0.312 . . . . 0.0 111.352 -179.433 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -51.46 -44.5 62.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.285 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.29 -48.96 77.59 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.536 -179.449 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.642 ' CD2' HG21 ' A' ' 84' ' ' THR . 51.5 mt -76.55 -32.8 58.42 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.644 0.259 . . . . 0.0 111.442 -179.191 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.62 -53.33 59.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.78 0.324 . . . . 0.0 110.532 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.7 mttp -60.69 -44.09 96.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.381 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -48.24 -29.79 4.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.171 179.654 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -73.96 -61.4 1.86 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.662 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -67.49 -11.75 58.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.182 179.561 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.59 -23.74 59.97 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.744 0.307 . . . . 0.0 110.879 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 2.4 m0 -91.94 -96.25 0.13 Allowed 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.308 -179.637 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 39.55 68.39 0.38 Allowed 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 120.924 0.392 . . . . 0.0 111.514 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.511 ' CE1' ' HB3' ' A' ' 31' ' ' LYS . 0.4 OUTLIER -53.11 -50.99 63.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.645 -179.617 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.5 p30 -96.84 -13.54 22.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.585 -179.628 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.45 45.7 13.6 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.541 -0.838 . . . . 0.0 112.879 179.751 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 16.8 p-10 -93.03 -7.83 44.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 117.234 0.517 . . . . 0.0 111.326 179.64 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 85.28 21.48 54.57 Favored Glycine 0 C--N 1.334 0.434 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.43 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.481 ' HB1' ' HB2' ' A' ' 74' ' ' SER . . . -156.46 173.84 16.31 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.592 0.234 . . . . 0.0 110.406 179.444 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.9 mp -108.31 123.27 48.54 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.671 -0.241 . . . . 0.0 110.949 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -121.01 172.07 8.2 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.353 0.597 . . . . 0.0 111.493 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -68.46 -34.59 76.21 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.793 179.632 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.0 -20.1 66.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.038 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.415 ' O ' ' CE2' ' A' ' 18' ' ' PHE . 0.5 OUTLIER -72.4 -33.21 67.01 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.443 179.802 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -75.24 -39.07 60.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.457 -179.457 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.81 -39.9 95.34 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.636 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.511 ' HB3' ' CE1' ' A' ' 18' ' ' PHE . 0.3 OUTLIER -64.93 -42.71 94.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.673 0.273 . . . . 0.0 110.418 179.629 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -48.7 -61.48 2.01 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.296 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.569 ' HB3' ' HG3' ' A' ' 53' ' ' LYS . . . -43.98 -46.53 8.31 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.088 179.553 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -62.55 -51.1 68.7 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.905 179.167 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -52.73 -31.31 37.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.281 179.775 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 65.3 mt -77.72 -55.6 9.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.654 179.252 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -45.11 -44.23 10.32 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 121.084 0.469 . . . . 0.0 110.999 179.701 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -59.82 -42.39 93.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.252 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -58.37 -24.76 60.82 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.894 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 47.5 m-85 -92.16 3.38 55.44 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.466 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 67.86 14.1 64.95 Favored Glycine 0 C--N 1.335 0.479 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.712 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 17.5 mttp -90.96 158.69 16.58 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.389 0.138 . . . . 0.0 110.793 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.529 ' O ' HG21 ' A' ' 49' ' ' VAL . 0.2 OUTLIER -71.46 130.27 40.87 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.699 0.285 . . . . 0.0 110.708 179.69 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.58 -17.0 64.04 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.697 -179.458 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -105.02 13.63 49.1 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.296 -0.954 . . . . 0.0 113.049 -179.274 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.19 -159.79 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.926 0.393 . . . . 0.0 110.795 179.282 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -91.74 -50.23 5.85 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.24 0.543 . . . . 0.0 110.913 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.412 ' HG3' ' HG2' ' A' ' 110' ' ' MET . 0.0 OUTLIER -58.76 -30.31 67.44 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.33 -0.85 . . . . 0.0 112.525 -178.946 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.529 HG21 ' O ' ' A' ' 43' ' ' ASP . 5.2 t -76.02 -43.44 38.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.219 179.776 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -61.66 -40.92 96.64 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 178.67 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 85.1 m -57.29 -57.87 10.75 Favored 'General case' 0 CA--C 1.522 -0.108 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.213 179.134 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 22.2 tp -51.19 -55.74 16.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.509 -179.507 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.569 ' HG3' ' HB3' ' A' ' 33' ' ' ALA . 8.1 mtpt -51.39 -37.77 49.95 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.741 0.305 . . . . 0.0 110.873 179.528 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 17.3 t30 -60.84 -42.81 98.5 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.873 0.368 . . . . 0.0 110.64 179.707 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.65 -37.89 73.78 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.157 179.633 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -62.36 -31.05 71.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.55 179.708 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -64.07 -52.16 46.96 Favored Glycine 0 N--CA 1.449 -0.455 0 CA-C-N 115.714 -0.675 . . . . 0.0 112.905 -179.624 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -61.37 -27.1 67.18 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.548 -0.834 . . . . 0.0 112.662 -179.686 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.484 HD12 HG21 ' A' ' 103' ' ' VAL . 4.3 tt -55.64 -38.1 69.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.807 0.336 . . . . 0.0 110.914 -179.426 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -62.2 -39.86 94.16 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.849 179.67 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -41.81 -52.94 3.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.516 -179.669 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -58.38 -35.27 71.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.138 -179.659 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 83.3 mt -66.68 -57.97 6.07 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.867 0.365 . . . . 0.0 111.19 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.532 ' HB1' ' O ' ' A' ' 69' ' ' VAL . . . -51.81 -50.72 60.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 0.0 112.137 179.629 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.97 -49.42 74.78 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.848 0.356 . . . . 0.0 111.47 -179.103 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -60.24 -42.59 95.6 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.83 -179.654 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -76.19 -27.94 57.09 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 116.123 -0.49 . . . . 0.0 112.146 -179.379 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 105.56 0.36 40.07 Favored Glycine 0 CA--C 1.522 0.52 0 C-N-CA 120.615 -0.802 . . . . 0.0 113.785 178.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.532 ' O ' ' HB1' ' A' ' 64' ' ' ALA . 35.3 m -102.07 175.56 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 179.482 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -89.17 -179.2 45.6 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.413 -0.899 . . . . 0.0 113.944 -178.546 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 12.3 m -65.38 -13.43 58.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.329 -0.436 . . . . 0.0 111.142 178.158 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -111.22 12.44 21.77 Favored 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 122.187 0.195 . . . . 0.0 111.407 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -94.56 -163.75 35.55 Favored Glycine 0 N--CA 1.446 -0.663 0 C-N-CA 120.274 -0.965 . . . . 0.0 112.194 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.481 ' HB2' ' HB1' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -144.17 156.73 44.44 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.279 0.562 . . . . 0.0 112.007 -179.273 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -116.75 132.15 56.77 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.314 179.58 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 29.5 p -83.9 -179.16 7.2 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.628 0.251 . . . . 0.0 110.872 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 60.8 tt0 -71.44 -52.28 19.35 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.701 0.286 . . . . 0.0 111.197 -179.555 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -55.62 -35.07 65.47 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 179.731 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -75.15 -42.63 55.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.141 178.694 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 36.7 t80 -53.92 -53.92 45.95 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.792 179.417 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 23.5 mt -53.82 -46.64 63.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.536 -179.302 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.7 -53.25 60.17 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 111.873 0.323 . . . . 0.0 111.873 -179.519 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 14.6 p -72.41 -34.6 49.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.761 0.315 . . . . 0.0 111.33 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.642 HG21 ' CD2' ' A' ' 9' ' ' LEU . 31.1 m -64.13 -48.4 76.22 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.364 179.834 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -52.8 -45.35 67.17 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.075 0.464 . . . . 0.0 111.077 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -58.44 -37.86 76.29 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.913 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.7 mt -58.92 -48.35 81.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.296 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.488 HD12 ' O ' ' A' ' 84' ' ' THR . 2.9 mp -73.32 -45.09 53.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 120.601 0.239 . . . . 0.0 111.07 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -87.87 -75.47 0.41 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.819 0.342 . . . . 0.0 110.989 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.412 ' O ' ' HB2' ' A' ' 91' ' ' GLN . 4.9 mt-10 -64.13 -161.5 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.648 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.428 ' OE1' ' N ' ' A' ' 91' ' ' GLN . 0.0 OUTLIER 66.91 135.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.809 179.836 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -69.69 157.76 53.45 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.561 -179.693 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.04 -57.78 9.22 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.709 0.29 . . . . 0.0 111.719 -179.256 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.437 ' O ' ' CG ' ' A' ' 98' ' ' ARG . . . -60.43 -13.38 13.19 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.336 0.495 . . . . 0.0 112.336 -179.523 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 37.4 m -73.62 -42.61 61.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.873 0.368 . . . . 0.0 110.82 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.685 ' CE1' HD22 ' A' ' 100' ' ' LEU . 10.4 t80 -67.93 -44.87 75.86 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.309 179.681 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -65.09 -39.91 93.84 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.67 -0.696 . . . . 0.0 112.141 -179.35 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.437 ' CG ' ' O ' ' A' ' 94' ' ' ALA . 1.5 mmt-85 -62.57 -63.4 1.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -178.241 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 21.6 t -66.92 -38.31 81.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 113.02 0.748 . . . . 0.0 113.02 -177.472 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.685 HD22 ' CE1' ' A' ' 96' ' ' PHE . 0.5 OUTLIER -88.75 -25.72 22.14 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 119.896 -0.721 . . . . 0.0 112.722 -177.536 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.469 ' N ' ' HD2' ' A' ' 102' ' ' PRO . . . -41.1 -56.71 3.19 Favored Glycine 0 CA--C 1.524 0.647 0 C-N-CA 120.896 -0.668 . . . . 0.0 112.949 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.469 ' HD2' ' N ' ' A' ' 101' ' ' GLY . 57.2 Cg_endo -69.03 -13.74 37.09 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.908 2.406 . . . . 0.0 112.741 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.484 HG21 HD12 ' A' ' 59' ' ' LEU . 46.6 t -79.75 -49.95 18.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 C-N-CA 120.436 -0.506 . . . . 0.0 110.454 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.422 ' O ' HG23 ' A' ' 108' ' ' VAL . 59.3 t -70.53 -34.46 57.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 121.457 0.646 . . . . 0.0 109.67 178.353 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.04 -59.35 4.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.016 -0.993 . . . . 0.0 110.501 179.185 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -44.92 -35.49 4.51 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.906 -0.664 . . . . 0.0 112.35 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 69.0 mt -73.69 -41.67 54.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.606 0.241 . . . . 0.0 111.458 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.906 HG13 HD11 ' A' ' 119' ' ' ILE . 46.4 t -62.17 -34.2 62.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.911 0.386 . . . . 0.0 110.945 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -62.64 -36.33 93.11 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.466 -0.873 . . . . 0.0 112.064 179.612 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' MET . . . . . 0.412 ' HG2' ' HG3' ' A' ' 48' ' ' GLU . 1.6 mtm -80.8 -27.6 36.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.871 0.367 . . . . 0.0 110.12 179.507 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 6.5 t -93.98 46.2 1.17 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.062 -178.814 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -167.38 107.92 0.6 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.254 -0.884 . . . . 0.0 110.371 -179.749 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 1.5 mtpt -94.06 7.77 43.94 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.685 178.08 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' ASN . . . . . 0.413 ' O ' ' HB3' ' A' ' 115' ' ' ALA . 6.8 p30 -108.66 -24.19 11.46 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.72 0.295 . . . . 0.0 110.785 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.413 ' HB3' ' O ' ' A' ' 114' ' ' ASN . . . 67.97 59.68 0.44 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.302 -0.408 . . . . 0.0 112.037 179.24 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 27.2 p-10 -114.18 -12.71 12.46 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.777 179.13 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 82.91 4.56 89.97 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.618 -0.801 . . . . 0.0 113.232 179.506 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -121.42 166.0 14.74 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-O 121.273 0.559 . . . . 0.0 111.987 -179.35 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.906 HD11 HG13 ' A' ' 108' ' ' VAL . 38.8 mm -111.77 98.99 7.76 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.972 -179.413 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 120' ' ' ASN . . . . . 0.424 ' O ' ' N ' ' A' ' 123' ' ' GLU . 0.9 OUTLIER -86.01 153.78 21.9 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.738 -0.385 . . . . 0.0 110.053 179.668 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -42.99 -38.9 2.41 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 111.804 0.298 . . . . 0.0 111.804 -178.894 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 53.2 t0 -69.13 -37.59 78.39 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 179.379 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 123' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 120' ' ' ASN . 3.8 mt-10 -73.45 -45.36 54.73 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 178.606 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 124' ' ' PHE . . . . . 0.441 ' CD1' HG21 ' A' ' 119' ' ' ILE . 1.6 t80 -54.98 -52.78 62.0 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.354 -179.487 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.417 ' HA ' ' HB1' ' A' ' 138' ' ' ALA . . . -54.5 -40.37 68.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.448 -179.48 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -55.57 -33.35 63.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 112.094 -179.332 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 127' ' ' TRP . . . . . 0.471 ' O ' ' HB3' ' A' ' 130' ' ' ALA . 13.3 t90 -86.43 -42.07 13.92 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 111.804 0.298 . . . . 0.0 111.804 -178.858 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.438 HD12 ' O ' ' A' ' 124' ' ' PHE . 0.4 OUTLIER -57.55 -44.11 84.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.907 0.384 . . . . 0.0 110.691 -179.917 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 129' ' ' THR . . . . . 0.475 HG22 ' O ' ' A' ' 133' ' ' MET . 1.0 OUTLIER -71.19 -21.62 62.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.38 178.753 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 130' ' ' ALA . . . . . 0.471 ' HB3' ' O ' ' A' ' 127' ' ' TRP . . . -65.14 -36.54 84.59 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.715 179.39 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 5.7 mt -86.1 3.12 44.0 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 -178.739 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 102.54 29.68 5.85 Favored Glycine 0 C--N 1.332 0.338 0 C-N-CA 120.216 -0.992 . . . . 0.0 113.743 178.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 133' ' ' MET . . . . . 0.475 ' O ' HG22 ' A' ' 129' ' ' THR . 15.1 mmt -103.07 155.98 18.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.956 0.378 . . . . 0.0 110.29 179.419 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 16.6 t -81.79 168.42 18.03 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.956 0.407 . . . . 0.0 111.475 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.95 -14.74 62.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.014 -0.539 . . . . 0.0 112.165 -179.55 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -89.11 -31.23 18.1 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 111.99 0.366 . . . . 0.0 111.99 -179.361 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.03 -38.66 79.3 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 -178.919 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 138' ' ' ALA . . . . . 0.417 ' HB1' ' HA ' ' A' ' 125' ' ' ALA . . . -60.23 -59.04 6.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.799 0.333 . . . . 0.0 111.025 -179.84 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -46.92 -41.73 16.47 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.946 0.403 . . . . 0.0 111.414 179.444 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -69.23 -48.21 62.57 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.004 -179.701 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 141' ' ' ALA . . . . . 0.537 ' O ' HG23 ' A' ' 145' ' ' VAL . . . -64.65 -37.19 86.72 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.975 -0.557 . . . . 0.0 112.04 -179.338 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -55.86 -59.91 4.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.058 0.456 . . . . 0.0 110.631 179.579 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 26.2 m-80 -56.06 -35.05 66.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.961 -179.424 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -66.69 -33.46 75.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.756 -179.194 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 145' ' ' VAL . . . . . 0.537 HG23 ' O ' ' A' ' 141' ' ' ALA . 48.9 t -83.49 -32.46 9.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 112.314 0.487 . . . . 0.0 112.314 -178.191 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.81 77.73 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.026 0.441 . . . . 0.0 111.149 -179.451 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 147' ' ' THR . . . . . 0.469 ' N ' ' O ' ' A' ' 145' ' ' VAL . 1.3 p -56.84 -35.44 68.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.941 179.764 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 37.9 p30 -95.65 6.4 49.03 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 -178.527 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 39.4 31.44 0.21 Allowed Glycine 0 C--N 1.333 0.416 0 C-N-CA 121.199 -0.524 . . . . 0.0 113.689 179.585 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 25.8 p-10 -87.21 -4.51 59.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.882 0.341 . . . . 0.0 111.518 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 87.53 3.89 80.71 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.434 -0.889 . . . . 0.0 113.162 179.311 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -134.11 134.16 41.92 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 117.242 0.521 . . . . 0.0 110.557 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 0.42 ' HB2' ' HB ' ' A' ' 119' ' ' ILE . 36.3 mt -100.56 104.66 16.02 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.45 179.127 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 2.9 p -88.17 168.0 13.13 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 121.199 0.523 . . . . 0.0 112.305 -179.078 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 4.3 mp -48.55 -45.63 37.8 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.798 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -56.16 -58.54 7.51 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.267 -179.803 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -64.08 -17.26 63.23 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.575 -0.739 . . . . 0.0 112.21 -178.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 158' ' ' LEU . . . . . 0.596 HD11 ' CG1' ' A' ' 119' ' ' ILE . 0.6 OUTLIER -71.83 -70.12 0.35 Allowed 'General case' 0 C--N 1.334 -0.104 0 CA-C-O 120.936 0.398 . . . . 0.0 110.735 179.218 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 0.467 ' N ' HD23 ' A' ' 159' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.472 0.645 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.155 -179.47 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 32.5 mm . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.898 0.38 . . . . 0.0 111.051 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.559 ' O ' HD12 ' A' ' 9' ' ' LEU . . . -63.21 -44.68 94.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.898 -179.439 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.36 -46.53 89.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.734 0.302 . . . . 0.0 111.293 -179.791 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -56.13 -54.81 40.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.289 -0.414 . . . . 0.0 112.114 -179.007 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.58 -42.76 99.32 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.003 0.371 . . . . 0.0 112.003 -178.395 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.717 HD13 HG23 ' A' ' 81' ' ' ILE . 5.2 mt -78.8 -30.78 45.65 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.207 0.447 . . . . 0.0 112.207 -178.884 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -61.18 -63.59 1.24 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.762 0.315 . . . . 0.0 111.365 -179.42 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.401 ' O ' ' N ' ' A' ' 15' ' ' ARG . 3.1 mmmt -49.22 -46.21 45.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.375 -179.335 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.84 -30.87 1.84 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.869 0.366 . . . . 0.0 110.974 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 44.8 t80 -74.61 -58.53 3.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.136 -179.743 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.75 -13.92 62.53 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.003 179.589 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.401 ' N ' ' O ' ' A' ' 11' ' ' LYS . 48.9 ttt85 -73.1 -24.15 60.6 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 111.79 0.293 . . . . 0.0 111.79 -179.448 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 32.8 m0 -98.21 -92.38 0.25 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.153 -179.302 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 39.56 73.72 0.11 Allowed 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 120.945 0.402 . . . . 0.0 111.544 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.449 ' CE2' ' N ' ' A' ' 32' ' ' GLU . 0.2 OUTLIER -53.19 -50.62 64.29 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.288 -179.314 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 46.1 p30 -98.16 -11.61 22.6 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.187 0.44 . . . . 0.0 112.187 -178.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 72.83 41.72 48.46 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.382 -0.913 . . . . 0.0 111.91 -179.615 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 16.6 p30 -90.5 -7.71 52.28 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 111.874 0.324 . . . . 0.0 111.874 -179.301 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 83.73 21.19 58.36 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.368 -0.92 . . . . 0.0 112.333 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -157.2 176.43 12.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.913 0.387 . . . . 0.0 110.967 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.4 mt -114.63 117.13 30.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.55 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -113.74 170.74 8.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.365 0.602 . . . . 0.0 110.821 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.5 ttm180 -68.18 -34.77 76.91 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.527 179.632 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.61 -19.82 66.06 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.259 179.723 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.38 -29.31 64.79 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 179.661 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -76.93 -36.67 56.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.012 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -64.19 -45.47 88.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.508 179.757 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 20.6 mmmt -62.35 -41.71 98.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.832 0.349 . . . . 0.0 110.58 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.449 ' N ' ' CE2' ' A' ' 18' ' ' PHE . 2.5 tt0 -50.51 -62.81 1.37 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.273 179.833 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.525 ' HB2' ' CD2' ' A' ' 56' ' ' PHE . . . -45.54 -47.04 14.36 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.117 0.484 . . . . 0.0 110.964 179.305 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 49.4 tt0 -63.26 -53.75 47.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.159 179.521 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 15.1 t60 -53.48 -23.44 10.2 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.892 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 60.4 mt -86.37 -49.71 14.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.203 179.386 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -48.13 -42.33 29.01 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.52 178.821 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -60.46 -42.14 95.58 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.471 179.461 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.13 -25.79 67.24 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.54 179.308 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -90.89 0.37 57.51 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.855 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 69.67 13.32 68.52 Favored Glycine 0 CA--C 1.52 0.36 0 C-N-CA 120.461 -0.876 . . . . 0.0 112.964 179.709 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 13.4 mmtp -90.3 159.61 16.57 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.955 0.407 . . . . 0.0 111.596 -179.594 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.97 130.3 38.23 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.253 179.735 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.0 -14.42 62.95 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.523 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -105.38 14.71 47.11 Favored Glycine 0 C--N 1.332 0.335 0 C-N-CA 120.554 -0.831 . . . . 0.0 113.705 -179.014 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.73 -168.22 0.25 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.816 0.341 . . . . 0.0 111.019 179.35 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -90.27 -47.01 8.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.651 179.243 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -62.35 -25.08 67.71 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.384 -179.592 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.499 HG13 ' N ' ' A' ' 50' ' ' GLN . 9.3 p -76.33 -46.61 32.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 179.442 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.499 ' N ' HG13 ' A' ' 49' ' ' VAL . 9.9 tp-100 -60.12 -40.78 90.93 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 178.744 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 65.9 m -59.75 -56.0 27.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.239 178.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 8.7 tp -52.29 -58.84 5.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.205 -179.494 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 53.7 mtpt -51.07 -41.99 60.27 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.443 0.163 . . . . 0.0 110.676 179.455 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -56.94 -40.4 76.32 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.902 0.382 . . . . 0.0 110.051 179.407 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.02 -36.46 77.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.514 179.755 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.525 ' CD2' ' HB2' ' A' ' 33' ' ' ALA . 1.2 m-85 -64.61 -30.26 71.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.867 -179.647 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -65.99 -48.98 61.24 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.316 179.812 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -63.67 -31.03 79.4 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.519 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.802 HD13 HG21 ' A' ' 103' ' ' VAL . 2.7 tp -58.48 -39.41 79.89 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 111.524 0.194 . . . . 0.0 111.524 -178.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 20.3 t80 -65.29 -37.54 87.47 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.405 0.145 . . . . 0.0 110.767 179.427 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 50.6 t0 -41.88 -45.62 3.75 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 120.857 0.36 . . . . 0.0 111.348 -179.632 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -59.54 -37.45 78.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.087 179.781 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 49.9 mt -64.14 -57.93 8.12 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.034 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.652 ' HB1' ' O ' ' A' ' 69' ' ' VAL . . . -52.04 -48.86 64.38 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.306 0.484 . . . . 0.0 112.306 -179.837 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.8 ttmt -63.93 -51.19 65.61 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.925 0.393 . . . . 0.0 111.082 -179.618 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 28.5 tp10 -61.4 -42.45 98.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.235 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.84 51.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.364 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 103.29 -4.3 47.99 Favored Glycine 0 CA--C 1.522 0.469 0 C-N-CA 120.631 -0.795 . . . . 0.0 113.91 178.766 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.652 ' O ' ' HB1' ' A' ' 64' ' ' ALA . 33.6 m -97.21 173.33 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.946 0.373 . . . . 0.0 110.713 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -86.17 177.36 49.1 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.93 -0.653 . . . . 0.0 114.132 -178.575 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.0 -13.21 44.75 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.042 -0.579 . . . . 0.0 110.836 177.862 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -112.41 13.2 20.2 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 116.747 -0.206 . . . . 0.0 111.531 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -94.12 -165.72 36.74 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.548 -0.834 . . . . 0.0 112.672 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.0 m -143.59 155.68 44.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.127 0.489 . . . . 0.0 111.726 -179.265 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.423 HD12 ' N ' ' A' ' 75' ' ' LEU . 3.4 mp -119.66 136.94 54.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.696 178.664 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 5.7 p -83.16 -178.18 7.01 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.923 0.392 . . . . 0.0 111.011 -179.745 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -68.07 -48.64 65.01 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.891 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 53.2 mm-40 -58.74 -33.34 70.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.828 179.724 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -72.55 -42.91 64.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.125 0.488 . . . . 0.0 110.15 179.126 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 76.9 t80 -52.39 -58.28 7.2 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.082 179.596 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.717 HG23 HD13 ' A' ' 9' ' ' LEU . 79.2 mt -50.3 -46.65 25.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.531 -179.269 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.7 -52.91 63.48 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.405 -179.833 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 21.5 t -70.35 -35.62 63.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 120.731 0.3 . . . . 0.0 110.927 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 63.3 m -64.31 -48.1 76.89 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.961 0.41 . . . . 0.0 110.391 179.364 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -51.29 -47.52 62.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.013 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 -61.56 -38.93 89.28 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.824 179.477 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 5.7 mt -58.65 -42.48 88.47 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.601 179.76 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 17.7 mm -74.91 -50.32 25.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.644 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -85.61 -75.71 0.36 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.018 -179.413 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.03 -163.98 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.697 0.284 . . . . 0.0 110.785 179.714 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 71.39 139.62 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.406 -179.581 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -70.39 156.71 53.42 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.983 -179.347 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -54.83 -53.54 54.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.435 0.636 . . . . 0.0 109.595 179.386 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.71 -10.24 25.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 114.921 -1.036 . . . . 0.0 112.161 179.493 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -73.62 -42.67 61.16 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.802 0.334 . . . . 0.0 110.633 -179.498 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -70.72 -41.06 72.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.066 0.46 . . . . 0.0 110.206 179.253 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 -66.17 -39.01 89.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.645 -179.495 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 10.5 mtt180 -65.14 -51.54 60.56 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 -178.822 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.475 HG12 HD12 ' A' ' 59' ' ' LEU . 2.9 t -81.88 -36.27 14.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 112.338 0.496 . . . . 0.0 112.338 -178.316 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.541 ' HG ' HG23 ' A' ' 104' ' ' VAL . 18.7 tp -90.41 -26.1 20.05 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 119.695 -0.802 . . . . 0.0 111.743 -178.481 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.454 ' N ' ' HD2' ' A' ' 102' ' ' PRO . . . -41.93 -54.55 4.34 Favored Glycine 0 CA--C 1.52 0.378 0 C-N-CA 120.985 -0.626 . . . . 0.0 113.118 179.791 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.454 ' HD2' ' N ' ' A' ' 101' ' ' GLY . 57.3 Cg_endo -71.32 -13.31 30.64 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.593 2.195 . . . . 0.0 112.351 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.802 HG21 HD13 ' A' ' 59' ' ' LEU . 31.5 t -81.2 -51.52 15.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.859 0.361 . . . . 0.0 110.711 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.541 HG23 ' HG ' ' A' ' 100' ' ' LEU . 36.2 t -68.91 -33.88 61.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.08 0.467 . . . . 0.0 110.348 179.203 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.99 -51.96 67.48 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.624 179.34 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -47.66 -36.27 12.52 Favored Glycine 0 C--N 1.332 0.329 0 C-N-CA 120.918 -0.658 . . . . 0.0 112.514 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 52.4 mt -72.21 -40.88 66.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.8 0.333 . . . . 0.0 110.724 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.784 HG21 HD22 ' A' ' 155' ' ' LEU . 85.2 t -63.74 -34.54 68.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.077 179.683 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -59.87 -40.54 96.92 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.253 -0.975 . . . . 0.0 111.728 179.692 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -78.71 -24.82 44.73 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 179.463 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 49.2 t -92.31 44.83 1.18 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.132 0.491 . . . . 0.0 111.21 -179.158 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -165.91 108.77 0.78 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.481 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 12.7 mtpp -93.93 1.39 56.33 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.104 178.31 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' ASN . . . . . 0.451 ' O ' ' HB3' ' A' ' 115' ' ' ALA . 45.4 p-10 -104.16 -19.05 14.27 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-O 120.792 0.329 . . . . 0.0 110.601 179.43 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.451 ' HB3' ' O ' ' A' ' 114' ' ' ASN . . . 69.11 51.12 0.54 Allowed 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 116.207 -0.451 . . . . 0.0 112.03 179.216 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 35.7 p-10 -107.48 -14.07 14.93 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.666 -0.243 . . . . 0.0 111.201 179.422 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 80.23 9.53 86.48 Favored Glycine 0 CA--C 1.52 0.402 0 C-N-CA 120.84 -0.695 . . . . 0.0 113.229 179.479 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 2.8 mm100 -123.48 162.9 21.95 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 117.16 0.48 . . . . 0.0 111.492 -179.421 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.467 HD11 HG13 ' A' ' 108' ' ' VAL . 37.7 mm -107.98 99.06 7.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.214 -179.759 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 120' ' ' ASN . . . . . 0.442 ' O ' ' N ' ' A' ' 123' ' ' GLU . 7.5 m-20 -86.07 153.22 22.27 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 179.188 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -45.25 -38.27 5.37 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 111.773 0.286 . . . . 0.0 111.773 -178.814 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -70.49 -30.14 66.85 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 179.413 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 123' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 120' ' ' ASN . 8.6 mt-10 -79.95 -46.77 16.11 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 178.571 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 124' ' ' PHE . . . . . 0.836 ' CE2' HD11 ' A' ' 128' ' ' LEU . 5.8 t80 -56.31 -43.07 78.59 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.93 0.395 . . . . 0.0 110.809 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -58.21 -45.79 87.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.24 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -53.62 -34.24 57.81 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.956 -179.568 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 18.7 t90 -85.16 -37.75 19.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.858 0.361 . . . . 0.0 111.36 -179.035 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.836 HD11 ' CE2' ' A' ' 124' ' ' PHE . 0.8 OUTLIER -62.6 -47.94 81.6 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.916 -179.777 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 76.5 p -70.21 -21.55 63.01 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.18 -0.463 . . . . 0.0 109.916 178.589 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -65.74 -37.85 87.51 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.241 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 16.2 mt -87.04 -0.66 56.99 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 111.914 0.338 . . . . 0.0 111.914 -179.115 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 106.65 30.27 4.38 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.18 -1.01 . . . . 0.0 113.621 178.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 133' ' ' MET . . . . . . . . . . . . . 16.8 mmt -101.98 153.08 20.2 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 179.065 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -81.53 153.8 26.59 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.9 0.381 . . . . 0.0 111.047 -179.409 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 7.6 mttt -56.52 -20.1 18.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.543 -179.643 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -83.91 -21.69 31.81 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.945 0.402 . . . . 0.0 111.16 179.475 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -75.12 -39.43 60.57 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.239 -179.565 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 138' ' ' ALA . . . . . 0.798 ' HA ' HD13 ' A' ' 128' ' ' LEU . . . -61.86 -60.72 3.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.983 0.421 . . . . 0.0 110.25 179.577 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -46.66 -45.32 19.17 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.719 179.262 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -69.81 -47.78 61.56 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.932 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 141' ' ' ALA . . . . . 0.485 ' O ' HG23 ' A' ' 145' ' ' VAL . . . -61.78 -41.63 97.97 Favored 'General case' 0 CA--C 1.519 -0.241 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.639 -179.25 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 142' ' ' PHE . . . . . 0.624 ' CD1' HD12 ' A' ' 153' ' ' LEU . 86.1 t80 -51.01 -57.55 8.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.846 179.71 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 29.3 m120 -58.6 -35.94 73.23 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.626 0.602 . . . . 0.0 112.626 -179.668 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -64.45 -41.49 96.52 Favored 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -178.879 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 145' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 141' ' ' ALA . 12.5 t -81.9 -29.21 9.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.214 -0.448 . . . . 0.0 112.014 -177.638 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -61.37 78.12 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.31 0 CA-C-O 121.203 0.525 . . . . 0.0 111.156 -179.625 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 147' ' ' THR . . . . . 0.456 ' N ' ' O ' ' A' ' 145' ' ' VAL . 1.7 t -54.84 -41.81 71.18 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.464 -0.789 . . . . 0.0 112.722 -179.755 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 42.4 p30 -94.3 6.69 47.92 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.489 0.552 . . . . 0.0 112.489 -178.004 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 37.65 39.8 0.62 Allowed Glycine 0 C--N 1.337 0.615 0 C-N-CA 121.19 -0.529 . . . . 0.0 113.398 179.698 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 40.5 p-10 -93.0 -7.07 46.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.605 0.24 . . . . 0.0 111.487 -179.545 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 95.26 -3.59 66.57 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.619 -0.8 . . . . 0.0 113.207 179.58 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -132.71 135.33 45.72 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-N 117.524 0.662 . . . . 0.0 111.46 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 0.624 HD12 ' CD1' ' A' ' 142' ' ' PHE . 13.3 mt -102.94 100.85 10.83 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.555 179.211 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 19.5 t -88.82 165.79 14.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.065 0.459 . . . . 0.0 111.765 -179.315 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 155' ' ' LEU . . . . . 0.784 HD22 HG21 ' A' ' 108' ' ' VAL . 0.4 OUTLIER -45.43 -41.74 9.63 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.393 -179.936 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.23 -60.71 3.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.264 0.554 . . . . 0.0 110.994 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -62.94 -16.52 59.59 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.337 -0.847 . . . . 0.0 112.102 -179.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 1.7 mt -70.49 -67.21 0.51 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.096 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 2.1 pp . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.139 -179.514 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 4.1 mp . . . . . 0 N--CA 1.456 -0.129 0 CA-C-O 120.991 0.425 . . . . 0.0 111.292 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.95 -34.6 77.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.783 -179.522 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.04 -51.41 69.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.929 0.395 . . . . 0.0 110.879 -179.743 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -53.33 -47.74 69.06 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.258 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.59 -47.95 83.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.567 -179.093 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.771 HD13 HG23 ' A' ' 81' ' ' ILE . 1.2 mt -75.87 -28.99 58.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.546 -178.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.48 -58.85 6.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.817 0.341 . . . . 0.0 110.697 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.418 ' O ' ' N ' ' A' ' 15' ' ' ARG . 7.4 mtpt -55.81 -43.3 76.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.973 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -46.05 -33.85 3.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.192 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 17.5 t80 -73.29 -60.04 2.43 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.019 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.74 -12.78 61.9 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.721 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.418 ' N ' ' O ' ' A' ' 11' ' ' LYS . 4.9 mmm-85 -72.31 -22.31 61.21 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.618 0.247 . . . . 0.0 111.285 -179.245 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 8.0 m0 -101.33 -91.72 0.32 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.592 -0.276 . . . . 0.0 111.042 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 41.15 73.92 0.12 Allowed 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.069 0.461 . . . . 0.0 111.331 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -54.39 -51.68 64.07 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.541 -179.141 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -96.66 -13.46 22.79 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -179.023 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 75.9 44.35 19.69 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.426 -0.892 . . . . 0.0 112.135 -179.666 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.57 ' ND2' ' HB3' ' A' ' 23' ' ' ALA . 6.1 p-10 -93.21 -12.3 30.57 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.631 0.234 . . . . 0.0 111.631 -179.663 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 83.55 21.62 57.81 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.527 -0.844 . . . . 0.0 112.146 -179.59 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.57 ' HB3' ' ND2' ' A' ' 21' ' ' ASN . . . -153.77 175.96 12.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.706 0.288 . . . . 0.0 110.338 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -115.43 121.47 42.84 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.831 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -120.64 171.85 8.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.555 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -66.37 -32.34 73.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.384 -179.724 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.69 -20.84 65.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.242 179.79 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.27 -35.95 71.54 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 179.506 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.423 ' CE2' HD22 ' A' ' 59' ' ' LEU . 47.2 m-85 -77.17 -38.31 51.98 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.88 179.827 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.405 ' HB3' ' HE2' ' A' ' 53' ' ' LYS . 33.3 mt-10 -65.48 -42.55 92.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.147 179.504 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.8 tptt -66.04 -42.54 89.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.936 0.398 . . . . 0.0 110.134 179.542 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -50.82 -59.43 4.12 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.286 179.624 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -46.28 -45.74 17.46 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.172 0.51 . . . . 0.0 110.338 179.444 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -62.21 -52.71 62.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.967 179.124 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 9.0 t60 -56.07 -33.3 64.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.497 179.534 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 13.4 mm -71.8 -55.19 14.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.241 179.219 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.662 ' HB2' HG13 ' A' ' 49' ' ' VAL . . . -43.0 -42.09 3.65 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.416 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.6 -37.27 85.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.677 179.5 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -58.66 -34.74 71.56 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 179.3 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -90.23 3.39 53.67 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.745 179.158 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 70.62 -153.5 51.6 Favored Glycine 0 C--N 1.336 0.53 0 C-N-CA 120.981 -0.628 . . . . 0.0 112.629 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 6.2 mtmt 73.4 -157.44 0.08 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.664 0.268 . . . . 0.0 111.415 179.619 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.568 ' HB2' ' HB2' ' A' ' 46' ' ' ALA . 0.7 OUTLIER -69.42 -157.45 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.265 0 CA-C-O 120.83 0.348 . . . . 0.0 111.862 -178.992 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -140.33 -58.85 0.54 Allowed 'General case' 0 C--O 1.231 0.124 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 178.295 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -90.3 28.52 7.38 Favored Glycine 0 N--CA 1.452 -0.246 0 CA-C-N 114.766 -1.106 . . . . 0.0 111.9 179.183 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.568 ' HB2' ' HB2' ' A' ' 43' ' ' ASP . . . -71.45 -168.33 0.32 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.826 0.346 . . . . 0.0 111.277 179.508 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -83.12 -51.42 7.53 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.053 179.415 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -55.96 -33.34 64.69 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.652 -179.248 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.662 HG13 ' HB2' ' A' ' 37' ' ' ALA . 1.5 t -77.05 -42.79 32.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 179.764 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -61.04 -40.94 95.54 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 178.784 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 97.2 m -57.99 -56.57 20.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.21 179.55 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.607 HD11 ' CE2' ' A' ' 56' ' ' PHE . 37.3 tp -50.4 -57.05 8.87 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.846 -0.341 . . . . 0.0 110.212 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.405 ' HE2' ' HB3' ' A' ' 30' ' ' GLU . 5.7 mtpt -50.1 -36.92 31.5 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.018 0.437 . . . . 0.0 110.173 179.011 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -61.04 -45.81 93.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.564 179.363 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.63 -55.77 10.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.857 179.634 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.607 ' CE2' HD11 ' A' ' 52' ' ' LEU . 0.7 OUTLIER -47.44 -29.97 3.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.822 179.781 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -68.05 -52.31 28.81 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 121.009 -0.615 . . . . 0.0 113.127 -179.453 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -54.96 -30.71 54.48 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.831 -179.354 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.423 HD22 ' CE2' ' A' ' 29' ' ' PHE . 7.9 tt -58.12 -33.39 69.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.759 0.279 . . . . 0.0 111.3 -179.44 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.475 ' HA ' HD12 ' A' ' 63' ' ' LEU . 28.1 t80 -61.89 -44.35 96.97 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.873 0.368 . . . . 0.0 110.37 179.592 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -42.35 -49.81 5.11 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.154 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.425 ' CD1' HG21 ' A' ' 99' ' ' VAL . 6.5 t80 -58.79 -41.22 86.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.122 179.812 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.475 HD12 ' HA ' ' A' ' 60' ' ' PHE . 29.3 mt -64.34 -53.74 43.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.902 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.524 ' HB1' ' O ' ' A' ' 69' ' ' VAL . . . -55.71 -50.58 69.95 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 111.855 0.317 . . . . 0.0 111.855 179.444 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.52 -50.22 72.25 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.91 0.386 . . . . 0.0 111.013 -179.51 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -61.47 -39.88 92.49 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.762 179.643 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -78.27 -26.15 47.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.625 -179.613 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 104.05 0.85 45.02 Favored Glycine 0 CA--C 1.52 0.365 0 C-N-CA 120.69 -0.766 . . . . 0.0 113.968 178.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.524 ' O ' ' HB1' ' A' ' 64' ' ' ALA . 31.3 m -102.3 174.22 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 117.158 0.479 . . . . 0.0 110.388 179.552 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -87.7 -179.84 47.63 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.873 -0.68 . . . . 0.0 114.049 -178.686 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.6 m -64.35 -13.04 48.17 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.338 -0.431 . . . . 0.0 111.061 178.231 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 80.8 m-20 -114.03 13.76 18.24 Favored 'General case' 0 C--N 1.333 -0.141 0 N-CA-C 111.703 0.26 . . . . 0.0 111.703 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -94.21 -165.62 36.59 Favored Glycine 0 C--N 1.331 0.264 0 C-N-CA 120.456 -0.878 . . . . 0.0 112.691 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -143.11 155.41 44.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.102 0.477 . . . . 0.0 111.588 -179.515 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.455 HD11 ' HB3' ' A' ' 63' ' ' LEU . 0.2 OUTLIER -117.53 139.56 50.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.07 179.116 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 69.9 p -83.98 -177.4 6.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.755 0.312 . . . . 0.0 111.159 -179.668 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -71.72 -49.57 38.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.625 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -59.44 -32.35 70.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.562 179.796 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -72.68 -43.2 63.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.141 0.496 . . . . 0.0 110.098 179.169 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.705 ' O ' HG23 ' A' ' 84' ' ' THR . 23.6 t80 -51.48 -56.7 11.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.811 179.463 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.771 HG23 HD13 ' A' ' 9' ' ' LEU . 52.2 mt -54.14 -50.3 55.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.922 -179.464 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.2 ttm180 -56.29 -51.71 67.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.44 -179.387 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 38.5 t -71.99 -39.58 66.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 111.773 0.286 . . . . 0.0 111.773 -179.434 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.705 HG23 ' O ' ' A' ' 80' ' ' PHE . 40.0 p -60.69 -44.35 96.65 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.05 0.452 . . . . 0.0 110.178 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -50.02 -54.44 20.14 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.299 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.414 ' O ' ' N ' ' A' ' 90' ' ' GLU . 11.1 m-20 -57.71 -36.88 72.6 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.294 -179.747 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.6 mt -57.28 -43.03 82.76 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.519 -179.708 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 3.8 mt -72.8 -53.25 19.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.831 0.348 . . . . 0.0 111.139 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 -88.2 -68.74 0.74 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.176 -179.529 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 86' ' ' ASN . 0.8 OUTLIER -57.08 -164.8 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.878 0.37 . . . . 0.0 111.11 -179.91 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 61.0 -83.96 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.037 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' GLY . . . . . 0.41 ' N ' ' OG ' ' A' ' 95' ' ' SER . . . 135.16 175.71 13.99 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.993 179.775 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.88 -59.95 4.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.099 0.476 . . . . 0.0 111.243 -179.864 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -57.62 -18.09 18.15 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.708 -0.678 . . . . 0.0 112.139 -179.055 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' SER . . . . . 0.41 ' OG ' ' N ' ' A' ' 92' ' ' GLY . 0.0 OUTLIER -78.41 -45.31 22.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.074 0.464 . . . . 0.0 110.674 179.928 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.79 ' CE2' HD22 ' A' ' 100' ' ' LEU . 21.2 t80 -70.46 -40.6 73.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.542 179.716 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 25.7 t30 -68.34 -35.06 77.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.65 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 5.5 mtm180 -62.75 -56.65 15.65 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -179.199 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.425 HG21 ' CD1' ' A' ' 62' ' ' TYR . 45.4 t -78.81 -36.23 18.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 112.948 0.721 . . . . 0.0 112.948 -177.897 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.79 HD22 ' CE2' ' A' ' 96' ' ' PHE . 1.6 tp -89.52 -26.06 21.08 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 119.848 -0.741 . . . . 0.0 112.233 -177.879 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -44.73 -59.17 4.43 Favored Glycine 0 CA--C 1.521 0.462 0 C-N-CA 120.642 -0.79 . . . . 0.0 112.682 179.74 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -63.46 -19.04 67.13 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.85 2.367 . . . . 0.0 112.067 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 73.1 t -79.62 -48.18 21.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.184 179.698 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.593 ' O ' HG23 ' A' ' 108' ' ' VAL . 2.8 t -69.88 -33.93 57.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.948 0.404 . . . . 0.0 110.205 179.27 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.9 -57.17 12.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.476 179.362 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -44.53 -38.48 5.37 Favored Glycine 0 C--N 1.333 0.378 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.116 179.627 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 22.7 mm -74.28 -38.74 48.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.724 0.297 . . . . 0.0 111.237 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.755 HG13 ' CD1' ' A' ' 119' ' ' ILE . 75.8 t -61.81 -35.44 67.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.096 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -71.73 -26.06 73.69 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.473 -0.87 . . . . 0.0 112.514 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 7.9 mtp -80.59 -30.72 36.87 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.363 0.125 . . . . 0.0 110.92 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 47.5 m -86.88 -37.42 17.7 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.772 0.656 . . . . 0.0 112.772 -177.451 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' ASP . . . . . 0.437 ' O ' ' HB2' ' A' ' 113' ' ' LYS . 3.6 m-20 -63.45 -71.7 0.16 Allowed 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.286 -0.566 . . . . 0.0 110.052 -179.406 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.437 ' HB2' ' O ' ' A' ' 112' ' ' ASP . 0.3 OUTLIER 81.38 2.21 1.56 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.116 -178.438 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 114' ' ' ASN . . . . . 0.523 ' O ' ' HB3' ' A' ' 115' ' ' ALA . 14.2 p30 -107.94 -21.17 12.93 Favored 'General case' 0 C--O 1.231 0.111 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 178.909 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.523 ' HB3' ' O ' ' A' ' 114' ' ' ASN . . . 75.44 45.77 0.13 Allowed 'General case' 0 C--O 1.231 0.124 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.975 179.389 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 16.5 p30 -106.39 -16.37 14.57 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.012 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 81.32 8.07 87.6 Favored Glycine 0 CA--C 1.52 0.353 0 C-N-CA 120.699 -0.762 . . . . 0.0 113.409 179.431 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -123.2 163.85 19.84 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 117.261 0.531 . . . . 0.0 111.813 -179.483 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.755 ' CD1' HG13 ' A' ' 108' ' ' VAL . 42.1 mm -111.7 99.73 9.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.411 -179.041 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 120' ' ' ASN . . . . . 0.422 ' O ' ' N ' ' A' ' 123' ' ' GLU . 1.1 m-80 -85.69 157.8 20.22 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 110.143 -0.317 . . . . 0.0 110.143 179.439 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.491 ' HA ' ' CD2' ' A' ' 142' ' ' PHE . . . -47.74 -38.72 16.03 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 111.64 0.237 . . . . 0.0 111.64 -178.689 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -70.26 -28.22 65.06 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 179.073 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 123' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 120' ' ' ASN . 57.1 mt-10 -82.92 -47.52 11.7 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.818 178.777 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 124' ' ' PHE . . . . . 0.441 ' CE2' HD11 ' A' ' 128' ' ' LEU . 2.8 t80 -55.81 -51.58 66.96 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.839 0.352 . . . . 0.0 110.856 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.512 ' O ' HG23 ' A' ' 129' ' ' THR . . . -53.75 -42.48 68.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.747 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -53.84 -33.84 57.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.195 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 127' ' ' TRP . . . . . 0.587 ' O ' ' HB3' ' A' ' 130' ' ' ALA . 23.3 t90 -82.7 -49.52 9.69 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 111.696 0.258 . . . . 0.0 111.696 -179.087 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.441 HD11 ' CE2' ' A' ' 124' ' ' PHE . 0.2 OUTLIER -54.12 -45.9 72.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.883 0.373 . . . . 0.0 110.488 -179.529 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 129' ' ' THR . . . . . 0.512 HG23 ' O ' ' A' ' 125' ' ' ALA . 25.2 p -70.85 -21.02 62.48 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.031 178.92 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 130' ' ' ALA . . . . . 0.587 ' HB3' ' O ' ' A' ' 127' ' ' TRP . . . -65.3 -37.49 87.31 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.046 179.491 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 3.2 mt -86.97 -2.08 58.35 Favored 'General case' 0 CA--C 1.529 0.16 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 -178.724 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 109.9 29.63 3.75 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.259 -0.972 . . . . 0.0 113.251 179.317 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 133' ' ' MET . . . . . 0.408 ' HG2' ' O ' ' A' ' 128' ' ' LEU . 38.5 mmm -101.93 153.06 20.21 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 179.219 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 56.6 m -83.23 159.79 21.9 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.718 0.295 . . . . 0.0 110.751 179.758 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 2.2 ttpm? -62.17 -16.77 55.2 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.809 -179.442 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -82.77 -27.51 30.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.048 179.661 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -73.97 -41.91 61.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.344 -179.773 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 138' ' ' ALA . . . . . 0.496 ' HB1' ' HA ' ' A' ' 125' ' ' ALA . . . -59.26 -57.85 11.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.859 0.361 . . . . 0.0 110.836 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -49.55 -44.04 46.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.096 179.708 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -70.81 -48.28 54.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.733 -179.451 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 141' ' ' ALA . . . . . 0.813 ' O ' HG23 ' A' ' 145' ' ' VAL . . . -62.3 -34.28 76.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.064 0.459 . . . . 0.0 111.367 -179.207 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 142' ' ' PHE . . . . . 0.733 ' CD2' HD11 ' A' ' 153' ' ' LEU . 31.9 t80 -56.95 -59.05 5.63 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.867 179.555 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 12.1 t30 -56.45 -36.27 68.85 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 115.76 -0.654 . . . . 0.0 112.504 -179.055 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -68.49 -27.42 66.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.93 0.395 . . . . 0.0 111.097 -179.395 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 145' ' ' VAL . . . . . 0.813 HG23 ' O ' ' A' ' 141' ' ' ALA . 44.5 t -84.66 -36.58 11.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.033 -0.53 . . . . 0.0 112.428 -178.699 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.51 78.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.125 0.488 . . . . 0.0 111.667 -179.084 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 147' ' ' THR . . . . . 0.431 ' N ' ' O ' ' A' ' 145' ' ' VAL . 24.0 m -56.34 -35.8 68.04 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 115.6 -0.727 . . . . 0.0 112.497 179.723 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 54.6 p30 -96.45 7.59 46.13 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -178.319 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 42.27 35.27 1.77 Allowed Glycine 0 C--N 1.332 0.358 0 C-N-CA 120.968 -0.634 . . . . 0.0 113.273 179.596 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 31.1 p-10 -91.78 -6.57 51.58 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-O 120.535 0.207 . . . . 0.0 111.414 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 88.2 5.59 76.11 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.497 -0.858 . . . . 0.0 113.374 179.17 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -133.05 134.73 44.75 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 117.269 0.534 . . . . 0.0 110.891 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 0.733 HD11 ' CD2' ' A' ' 142' ' ' PHE . 47.6 mt -97.37 99.54 10.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.113 179.394 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.1 163.36 17.03 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.082 0.468 . . . . 0.0 111.723 -178.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -47.98 -44.3 30.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.496 -179.678 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 33.5 t0 -56.38 -59.63 4.69 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.895 0.378 . . . . 0.0 111.039 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 77.4 mt-10 -65.02 -15.42 62.3 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.975 -0.557 . . . . 0.0 112.343 -179.028 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 158' ' ' LEU . . . . . 0.755 HD11 HG13 ' A' ' 119' ' ' ILE . 5.0 mt -70.63 -56.03 7.42 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.078 0.465 . . . . 0.0 110.557 179.526 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 0.514 ' N ' HD23 ' A' ' 159' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.958 -179.707 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 23.0 mt . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.791 0.329 . . . . 0.0 111.712 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.636 ' O ' HD12 ' A' ' 9' ' ' LEU . . . -60.63 -35.34 75.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.541 -179.219 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 m -60.46 -49.37 77.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.082 0.467 . . . . 0.0 110.867 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.04 -50.79 68.2 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.798 -179.46 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -61.7 -50.09 73.83 Favored 'General case' 0 N--CA 1.463 0.216 0 N-CA-C 111.806 0.299 . . . . 0.0 111.806 -179.038 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.887 HD13 HG23 ' A' ' 81' ' ' ILE . 2.8 mt -73.14 -29.17 62.69 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.34 -179.013 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.96 -47.74 84.54 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.925 -179.48 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 35.3 mttt -65.3 -46.15 81.53 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.02 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -47.42 -28.2 2.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.925 179.735 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.485 ' CD1' ' HA ' ' A' ' 77' ' ' GLU . 80.5 t80 -74.88 -62.86 1.4 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.239 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -70.06 -23.76 63.13 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 120.689 0.281 . . . . 0.0 111.19 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 45.5 ttt85 -72.23 -13.93 61.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.55 -179.464 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.422 ' HA ' ' CE3' ' A' ' 16' ' ' TRP . 2.2 m95 -113.34 20.49 16.1 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 111.992 0.368 . . . . 0.0 111.992 -179.564 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.8 81.86 6.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.181 0.515 . . . . 0.0 110.557 179.774 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.479 ' CZ ' ' HB3' ' A' ' 31' ' ' LYS . 0.2 OUTLIER -54.51 -51.89 63.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.033 -179.547 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -97.94 -14.05 20.84 Favored 'General case' 0 CA--C 1.53 0.199 0 N-CA-C 111.752 0.278 . . . . 0.0 111.752 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 74.99 46.32 17.06 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.563 -0.827 . . . . 0.0 112.967 179.795 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.4 p-10 -96.23 -8.03 34.05 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 117.035 0.418 . . . . 0.0 111.521 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 83.12 18.81 64.07 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.343 -0.932 . . . . 0.0 111.908 -179.362 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.743 ' HB1' ' HB2' ' A' ' 74' ' ' SER . . . -152.7 173.84 14.75 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.854 0.359 . . . . 0.0 110.748 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.3 mt -115.82 120.66 40.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.849 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -119.64 172.4 7.7 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.981 0.42 . . . . 0.0 111.096 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.68 -36.79 78.98 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.211 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.56 -21.92 65.94 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.037 179.463 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.432 ' OD1' ' HB2' ' A' ' 18' ' ' PHE . 13.1 m-20 -72.77 -33.16 66.13 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.121 179.448 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -75.36 -39.97 58.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.816 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 67.6 mt-10 -63.58 -37.72 88.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.191 179.541 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.479 ' HB3' ' CZ ' ' A' ' 18' ' ' PHE . 2.6 mttt -65.31 -44.59 87.39 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.798 0.332 . . . . 0.0 110.897 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.42 ' HG2' HD11 ' A' ' 36' ' ' ILE . 9.8 tt0 -46.72 -63.47 1.01 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.621 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.546 ' HA ' HD12 ' A' ' 36' ' ' ILE . . . -46.71 -45.45 19.53 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.891 0.376 . . . . 0.0 110.993 179.498 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -63.37 -57.54 10.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.863 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 24.2 t60 -52.7 -29.68 28.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.861 0.362 . . . . 0.0 110.396 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.546 HD12 ' HA ' ' A' ' 33' ' ' ALA . 19.8 mt -75.56 -50.99 22.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.34 179.717 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -43.21 -48.31 6.52 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.469 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.5 -35.99 75.19 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 179.077 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.454 ' HB3' ' O ' ' A' ' 36' ' ' ILE . . . -61.89 -30.37 70.83 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 178.7 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -93.43 -0.11 56.6 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.632 179.232 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.4 ' O ' ' HB3' ' A' ' 42' ' ' LYS . . . 71.99 -151.64 47.62 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 121.21 -0.519 . . . . 0.0 113.212 179.821 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.4 ' HB3' ' O ' ' A' ' 41' ' ' GLY . 7.7 tptt 68.22 -99.2 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 122.607 0.363 . . . . 0.0 110.876 -179.795 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -171.56 134.02 0.82 Allowed 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 121.031 0.443 . . . . 0.0 111.497 179.76 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.89 -8.86 32.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.923 -0.58 . . . . 0.0 112.25 -179.678 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -104.99 15.26 48.16 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.163 -1.018 . . . . 0.0 113.535 -179.107 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.443 ' HB3' HG23 ' A' ' 49' ' ' VAL . . . -72.29 166.3 22.73 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.861 0.362 . . . . 0.0 111.113 179.193 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.18 -47.98 75.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.18 0.514 . . . . 0.0 110.617 179.385 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 90.6 mt-10 -56.31 -31.42 63.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.598 -0.728 . . . . 0.0 112.753 -178.66 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.443 HG23 ' HB3' ' A' ' 46' ' ' ALA . 4.7 t -76.66 -38.88 31.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 C-N-CA 120.604 -0.439 . . . . 0.0 110.984 -179.46 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -59.72 -40.71 88.93 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 179.064 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 82.8 m -55.7 -59.26 5.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.93 179.107 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 17.4 tp -48.94 -58.54 4.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.884 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 27.2 mtpt -50.39 -42.37 53.48 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.483 0.182 . . . . 0.0 111.414 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -58.7 -41.53 86.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.835 0.35 . . . . 0.0 110.236 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.02 -49.05 63.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.876 179.288 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -52.41 -31.06 32.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.658 179.727 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -65.83 -51.16 48.58 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.361 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -59.85 -30.74 70.18 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.51 -0.853 . . . . 0.0 111.85 179.62 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.429 ' O ' HD12 ' A' ' 59' ' ' LEU . 12.6 tp -55.64 -32.98 63.64 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.93 0.395 . . . . 0.0 110.452 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -63.39 -39.48 94.63 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.223 179.143 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -43.6 -52.82 6.08 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.695 179.724 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.464 ' HB2' HG21 ' A' ' 99' ' ' VAL . 5.4 t80 -56.06 -39.88 72.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.258 -179.703 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 10.8 mt -65.96 -56.53 11.2 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.248 -179.381 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -56.32 -45.9 80.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.576 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.32 -55.98 15.23 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.923 0.392 . . . . 0.0 111.331 -179.714 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -61.14 -40.18 92.85 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.503 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -77.52 -25.29 50.15 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.992 0.425 . . . . 0.0 111.097 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 75.26 35.78 47.33 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.987 -0.625 . . . . 0.0 113.564 178.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 48.1 t -106.98 -80.29 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.516 0.198 . . . . 0.0 111.066 -179.716 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 166.51 157.96 10.74 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.578 -0.82 . . . . 0.0 112.548 -179.571 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.1 m -60.86 -23.48 65.17 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 122.434 0.294 . . . . 0.0 111.436 179.372 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -113.06 14.24 19.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.357 179.762 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -94.53 -165.21 36.05 Favored Glycine 0 C--N 1.332 0.331 0 C-N-CA 120.4 -0.905 . . . . 0.0 112.395 179.652 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.743 ' HB2' ' HB1' ' A' ' 23' ' ' ALA . 20.5 p -143.3 155.95 44.6 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.024 0.44 . . . . 0.0 111.934 -179.329 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.8 mp -116.62 136.14 53.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.238 179.111 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 16.6 p -85.17 -177.57 6.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.74 0.305 . . . . 0.0 110.793 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.485 ' HA ' ' CD1' ' A' ' 13' ' ' PHE . 2.4 tt0 -71.36 -47.95 53.19 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.758 -179.609 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.0 -33.07 70.29 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.476 179.691 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -73.46 -42.48 61.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.949 0.404 . . . . 0.0 110.273 179.13 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.406 ' CD1' ' OG1' ' A' ' 84' ' ' THR . 48.5 t80 -53.69 -54.77 33.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.568 179.127 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.887 HG23 HD13 ' A' ' 9' ' ' LEU . 9.9 mt -53.86 -51.46 44.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.622 -0.717 . . . . 0.0 112.437 -179.095 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.16 -50.09 75.38 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 111.774 0.287 . . . . 0.0 111.774 -179.233 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 74.7 t -73.13 -37.82 53.64 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.214 0 CA-C-O 120.707 0.289 . . . . 0.0 111.569 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.665 ' O ' HD12 ' A' ' 88' ' ' ILE . 51.8 m -61.15 -46.37 90.82 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.905 0.383 . . . . 0.0 110.37 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -50.24 -49.01 54.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.342 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -59.19 -36.85 76.08 Favored 'General case' 0 C--O 1.231 0.109 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.16 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.2 mt -60.44 -48.98 79.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.089 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.665 HD12 ' O ' ' A' ' 84' ' ' THR . 2.6 mp -70.8 -44.49 76.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.183 -179.556 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -88.5 -84.73 0.2 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.908 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -57.23 -162.18 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.619 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 72.01 145.45 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.838 0.351 . . . . 0.0 110.146 -179.652 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -82.35 159.6 39.12 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.641 -0.79 . . . . 0.0 113.075 -179.378 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.05 -52.95 61.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.017 0.436 . . . . 0.0 110.328 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.28 -11.47 32.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.771 -0.65 . . . . 0.0 112.507 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.11 -45.72 39.26 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.121 0.486 . . . . 0.0 110.333 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -69.03 -42.32 76.51 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.544 179.508 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -67.07 -37.48 84.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.663 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 7.3 mtp180 -63.91 -51.39 64.69 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.839 -179.31 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.464 HG21 ' HB2' ' A' ' 62' ' ' TYR . 3.7 p -79.6 -40.98 21.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 -177.116 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.492 HD23 ' HB2' ' A' ' 159' ' ' LEU . 13.7 tp -87.68 -25.08 23.67 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.786 -0.643 . . . . 0.0 112.125 -177.482 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.4 ' N ' ' HD2' ' A' ' 102' ' ' PRO . . . -44.89 -62.73 2.84 Favored Glycine 0 CA--C 1.521 0.426 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.998 179.559 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.4 ' HD2' ' N ' ' A' ' 101' ' ' GLY . 18.6 Cg_endo -60.67 -17.66 50.7 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.655 2.237 . . . . 0.0 112.316 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 20.0 t -79.17 -52.08 15.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.672 -179.061 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.449 ' O ' HG23 ' A' ' 108' ' ' VAL . 59.1 t -66.27 -30.9 51.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.244 0.545 . . . . 0.0 110.745 179.253 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.47 ' HG2' ' CD2' ' A' ' 155' ' ' LEU . 0.0 OUTLIER -55.81 -55.24 34.8 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.668 179.65 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -46.32 -38.89 9.3 Favored Glycine 0 C--N 1.331 0.262 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.492 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.606 HD13 ' CZ2' ' A' ' 127' ' ' TRP . 20.2 mt -71.87 -38.98 66.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 121.037 0.446 . . . . 0.0 110.878 -179.858 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.83 ' HA ' HD11 ' A' ' 119' ' ' ILE . 85.3 t -61.69 -37.68 78.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.905 179.756 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -69.41 -27.93 73.04 Favored Glycine 0 CA--C 1.52 0.375 0 C-N-CA 120.435 -0.888 . . . . 0.0 112.777 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -80.74 -31.77 35.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.546 0.173 . . . . 0.0 111.052 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 63.6 m -90.74 -21.49 21.55 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 113.058 0.762 . . . . 0.0 113.058 -177.617 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' ASP . . . . . 0.488 ' O ' ' HB2' ' A' ' 113' ' ' LYS . 24.6 m-20 -68.24 -74.03 0.13 Allowed 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 119.943 -0.703 . . . . 0.0 110.686 -178.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.488 ' HB2' ' O ' ' A' ' 112' ' ' ASP . 3.5 mttm 83.53 -4.18 1.18 Allowed 'General case' 0 C--O 1.232 0.135 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.799 -177.625 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' ASN . . . . . 0.49 ' O ' ' HB3' ' A' ' 115' ' ' ALA . 0.2 OUTLIER -108.88 -15.64 14.33 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 178.069 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.49 ' HB3' ' O ' ' A' ' 114' ' ' ASN . . . 71.56 49.23 0.3 Allowed 'General case' 0 C--O 1.231 0.085 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.755 179.41 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 14.1 p-10 -110.11 -15.54 14.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.364 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 78.39 11.48 85.27 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.906 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -123.0 164.19 19.01 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-O 121.092 0.472 . . . . 0.0 111.596 -179.243 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.83 HD11 ' HA ' ' A' ' 108' ' ' VAL . 40.3 mm -111.25 99.54 8.89 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.315 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.582 -178.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -85.05 158.01 20.57 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 122.326 -0.233 . . . . 0.0 110.424 179.672 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.456 ' HA ' ' CE2' ' A' ' 142' ' ' PHE . . . -48.63 -39.19 23.21 Favored 'General case' 0 C--N 1.334 -0.092 0 CA-C-N 116.66 -0.245 . . . . 0.0 111.515 -178.68 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.3 -28.72 64.32 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 179.055 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -79.4 -48.03 14.7 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 178.849 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 124' ' ' PHE . . . . . 0.469 ' CE2' HD11 ' A' ' 128' ' ' LEU . 2.1 t80 -57.16 -53.4 58.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.925 179.628 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -50.2 -45.0 53.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.049 -179.684 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -54.77 -32.08 59.55 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.82 -179.573 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 127' ' ' TRP . . . . . 0.606 ' CZ2' HD13 ' A' ' 107' ' ' ILE . 13.6 t90 -83.39 -42.26 17.22 Favored 'General case' 0 N--CA 1.463 0.207 0 N-CA-C 111.763 0.282 . . . . 0.0 111.763 -178.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.469 HD11 ' CE2' ' A' ' 124' ' ' PHE . 0.3 OUTLIER -59.34 -45.02 92.54 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.96 0.41 . . . . 0.0 110.696 -179.889 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 129' ' ' THR . . . . . 0.494 HG23 ' O ' ' A' ' 133' ' ' MET . 0.3 OUTLIER -71.93 -21.36 61.63 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.146 179.134 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 130' ' ' ALA . . . . . 0.465 ' HB3' ' O ' ' A' ' 127' ' ' TRP . . . -65.32 -37.98 88.76 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.936 179.472 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -89.32 -0.16 57.26 Favored 'General case' 0 C--N 1.332 -0.156 0 N-CA-C 112.639 0.607 . . . . 0.0 112.639 -178.499 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 109.0 29.56 4.01 Favored Glycine 0 CA--C 1.519 0.291 0 C-N-CA 119.954 -1.117 . . . . 0.0 113.976 179.013 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 133' ' ' MET . . . . . 0.494 ' O ' HG23 ' A' ' 129' ' ' THR . 28.0 mmt -103.67 153.11 21.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 117.139 0.469 . . . . 0.0 110.153 178.866 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 6.8 p -81.02 163.69 23.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.585 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.82 -21.92 65.19 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.855 -0.338 . . . . 0.0 111.096 -179.545 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -79.81 -26.41 40.52 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.003 179.277 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.39 -38.78 68.38 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.693 -179.34 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -62.38 -59.71 4.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.0 0.429 . . . . 0.0 110.984 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -44.72 -43.64 8.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.338 179.728 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -69.84 -48.32 59.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.403 -179.429 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 141' ' ' ALA . . . . . 0.704 ' O ' HG23 ' A' ' 145' ' ' VAL . . . -63.04 -40.0 96.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.73 -179.238 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 142' ' ' PHE . . . . . 0.456 ' CE2' ' HA ' ' A' ' 121' ' ' ALA . 24.2 t80 -52.32 -59.62 4.19 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.229 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -56.27 -34.57 66.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.877 -179.619 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 2.1 mm100 -66.09 -35.52 80.73 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.895 -179.288 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 145' ' ' VAL . . . . . 0.704 HG23 ' O ' ' A' ' 141' ' ' ALA . 12.4 t -83.55 -33.45 9.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 112.671 0.619 . . . . 0.0 112.671 -177.692 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.41 78.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.094 0.473 . . . . 0.0 110.914 -179.406 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 147' ' ' THR . . . . . 0.475 ' N ' ' O ' ' A' ' 145' ' ' VAL . 0.2 OUTLIER -56.38 -32.86 65.17 Favored 'General case' 0 CA--C 1.521 -0.172 0 CA-C-N 115.721 -0.672 . . . . 0.0 112.405 -179.82 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 14.8 p30 -98.66 8.57 44.77 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 111.904 0.335 . . . . 0.0 111.904 -178.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 41.45 37.89 1.9 Allowed Glycine 0 C--N 1.335 0.487 0 C-N-CA 121.107 -0.568 . . . . 0.0 113.123 179.782 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 33.5 p-10 -94.65 -5.89 44.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.583 0.23 . . . . 0.0 111.552 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 85.51 9.08 79.6 Favored Glycine 0 C--N 1.335 0.518 0 C-N-CA 120.674 -0.774 . . . . 0.0 113.778 178.734 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -134.71 135.68 42.16 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 117.373 0.587 . . . . 0.0 111.153 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 0.7 HD21 ' HB ' ' A' ' 145' ' ' VAL . 31.4 mt -94.88 103.42 15.29 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.06 179.072 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 37.7 p -90.04 160.09 16.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.726 0.298 . . . . 0.0 111.125 -179.592 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 155' ' ' LEU . . . . . 0.47 ' CD2' ' HG2' ' A' ' 105' ' ' LYS . 0.4 OUTLIER -46.6 -44.02 17.84 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-O 121.048 0.451 . . . . 0.0 110.557 -179.922 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.79 -52.29 65.64 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.507 179.651 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -65.77 -26.33 67.66 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.228 -0.896 . . . . 0.0 112.501 -178.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 158' ' ' LEU . . . . . 0.78 HD11 HG13 ' A' ' 119' ' ' ILE . 43.2 mt -73.17 -69.99 0.39 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.187 179.626 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 0.492 ' HB2' HD23 ' A' ' 100' ' ' LEU . 3.9 pp . . . . . 0 N--CA 1.462 0.175 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.843 -178.75 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 38.3 mt . . . . . 0 C--O 1.231 0.113 0 CA-C-O 121.157 0.503 . . . . 0.0 110.61 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.23 -47.93 82.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.831 -0.622 . . . . 0.0 112.117 -179.678 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.55 -52.65 64.27 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.916 0.389 . . . . 0.0 111.365 -179.377 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -48.69 -54.64 14.01 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.801 -0.636 . . . . 0.0 112.38 -179.12 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 4.0 mmt-85 -61.39 -45.49 94.14 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.227 0.454 . . . . 0.0 112.227 -178.216 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 18.5 mt -76.5 -28.8 56.57 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 111.97 0.359 . . . . 0.0 111.97 -179.227 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.95 -66.22 0.55 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.444 -179.181 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 8.6 mmtm -47.19 -45.3 22.96 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.835 0.35 . . . . 0.0 111.008 -179.505 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 71.9 mmt-85 -49.5 -29.43 6.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.621 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -73.3 -57.14 4.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.669 0.271 . . . . 0.0 111.474 -179.39 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -70.26 -21.36 62.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.218 -179.571 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 19.6 ttt180 -75.05 -15.28 60.64 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.727 0.298 . . . . 0.0 111.26 179.79 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.406 ' HA ' ' CE3' ' A' ' 16' ' ' TRP . 5.9 m95 -102.36 14.19 32.6 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.775 -179.515 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -80.68 75.14 7.59 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.043 0.449 . . . . 0.0 111.161 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -53.76 -49.13 68.89 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.469 -179.408 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 27.8 p-10 -97.31 -13.3 22.01 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 111.769 0.285 . . . . 0.0 111.769 -179.355 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.16 43.54 20.85 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.377 -0.916 . . . . 0.0 111.592 -179.162 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 20.1 p-10 -93.19 -11.56 32.42 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 111.618 0.229 . . . . 0.0 111.618 -179.359 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 82.32 21.15 61.02 Favored Glycine 0 C--N 1.331 0.262 0 C-N-CA 120.568 -0.825 . . . . 0.0 112.653 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -155.4 176.58 12.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.692 0.282 . . . . 0.0 110.481 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.9 mt -115.85 123.59 48.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.973 0.416 . . . . 0.0 111.042 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -120.45 172.03 8.12 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.43 179.618 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 9.6 ttt-85 -71.05 -31.36 67.77 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.731 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.52 -20.47 65.65 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.573 -0.739 . . . . 0.0 111.512 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.39 -32.88 72.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.859 0.362 . . . . 0.0 110.543 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.417 ' HB3' ' HB3' ' A' ' 56' ' ' PHE . 99.6 m-85 -76.84 -37.43 55.65 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.422 -179.533 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -64.41 -41.07 96.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.68 -179.767 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.6 mttm -67.09 -43.7 81.87 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.03 0.443 . . . . 0.0 110.382 179.714 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.436 ' O ' HG12 ' A' ' 36' ' ' ILE . 22.8 tt0 -49.94 -63.11 1.21 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.386 179.662 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.434 ' HB3' ' HG3' ' A' ' 53' ' ' LYS . . . -46.05 -47.53 16.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.393 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -62.3 -51.77 66.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.304 -0.407 . . . . 0.0 109.956 179.615 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -56.28 -24.41 42.79 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.206 179.112 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.436 HG12 ' O ' ' A' ' 32' ' ' GLU . 7.0 mm -79.69 -51.7 16.01 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.091 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.808 179.457 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -45.69 -47.47 15.15 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.37 -179.679 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -60.06 -34.62 73.67 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.927 -0.309 . . . . 0.0 110.319 179.164 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.425 ' HB3' ' O ' ' A' ' 36' ' ' ILE . . . -60.23 -33.67 72.6 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 178.557 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.414 ' O ' ' HD3' ' A' ' 42' ' ' LYS . 1.1 m-85 -92.78 1.18 57.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.901 179.129 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 72.58 -147.64 40.69 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.938 -0.649 . . . . 0.0 112.434 -179.498 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.414 ' HD3' ' O ' ' A' ' 40' ' ' PHE . 0.0 OUTLIER 68.07 -103.19 0.06 Allowed 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 179.44 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -168.99 131.79 1.3 Allowed 'General case' 0 N--CA 1.457 -0.099 0 C-N-CA 120.48 -0.488 . . . . 0.0 112.146 -178.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.618 ' O ' HG11 ' A' ' 49' ' ' VAL . . . -68.21 -11.54 59.45 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.557 179.644 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -99.32 17.39 57.92 Favored Glycine 0 C--N 1.333 0.397 0 C-N-CA 120.575 -0.821 . . . . 0.0 112.937 -179.466 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.65 -166.05 0.13 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.026 0.441 . . . . 0.0 111.296 179.549 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -94.6 -45.3 7.45 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.142 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -63.89 -21.81 66.63 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.486 -179.62 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.618 HG11 ' O ' ' A' ' 44' ' ' ALA . 8.7 p -76.23 -48.1 28.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 179.502 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.492 ' N ' HG13 ' A' ' 49' ' ' VAL . 12.7 tt0 -61.0 -41.07 95.82 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 178.551 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 25.4 m -59.55 -55.06 39.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.448 179.412 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.423 HD11 ' CE2' ' A' ' 56' ' ' PHE . 37.1 tp -52.28 -58.24 7.25 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.836 -0.345 . . . . 0.0 110.27 -179.743 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.434 ' HG3' ' HB3' ' A' ' 33' ' ' ALA . 7.5 mtpt -51.35 -39.34 56.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.46 -0.337 . . . . 0.0 110.813 179.531 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -59.04 -41.08 86.99 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 179.595 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.97 -46.23 68.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.452 179.064 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.423 ' CE2' HD11 ' A' ' 52' ' ' LEU . 2.6 m-85 -53.69 -33.28 54.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.823 179.564 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -63.0 -50.17 65.83 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.634 -0.793 . . . . 0.0 112.454 -179.692 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.422 ' O ' ' HB2' ' A' ' 61' ' ' ASP . . . -59.09 -29.92 66.18 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.539 -0.838 . . . . 0.0 112.688 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.58 -35.49 68.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 122.497 -0.414 . . . . 0.0 110.756 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.883 ' HA ' HD12 ' A' ' 63' ' ' LEU . 33.2 t80 -63.97 -42.94 97.11 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.729 179.514 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.422 ' HB2' ' O ' ' A' ' 58' ' ' GLY . 16.4 m-20 -42.25 -55.21 3.4 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.741 -179.766 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 18.3 t80 -55.64 -36.09 66.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.812 -179.659 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.883 HD12 ' HA ' ' A' ' 60' ' ' PHE . 18.0 mt -66.44 -55.79 14.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.807 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.676 ' HB1' ' O ' ' A' ' 69' ' ' VAL . . . -55.37 -50.36 69.9 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.839 179.472 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 9.8 ttpt -62.11 -51.51 67.62 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.911 0.386 . . . . 0.0 111.098 -179.412 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 23.5 tp10 -61.7 -41.11 97.16 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.825 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -76.12 -27.08 56.94 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.34 -179.507 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 100.59 11.23 41.75 Favored Glycine 0 CA--C 1.519 0.281 0 C-N-CA 120.888 -0.672 . . . . 0.0 113.498 179.161 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.676 ' O ' ' HB1' ' A' ' 64' ' ' ALA . 15.9 m -110.72 172.31 2.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.553 0.176 . . . . 0.0 110.554 179.451 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -84.59 176.18 51.04 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.886 -0.673 . . . . 0.0 113.982 -178.688 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.3 m -63.85 -15.13 58.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.396 -0.402 . . . . 0.0 111.005 178.348 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -109.57 15.15 23.11 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.34 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -95.35 -165.01 34.89 Favored Glycine 0 CA--C 1.52 0.378 0 C-N-CA 120.43 -0.891 . . . . 0.0 113.07 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.5 m -143.81 155.93 44.31 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.897 0.379 . . . . 0.0 111.598 -179.25 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.3 mp -119.34 141.66 48.83 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.64 179.376 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 33.2 p -85.98 -172.11 3.92 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 120.9 0.381 . . . . 0.0 111.609 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -77.89 -49.61 13.88 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.991 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -57.07 -32.19 66.0 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.379 179.603 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -72.06 -42.8 65.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.929 0.395 . . . . 0.0 110.114 179.223 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.404 ' CD1' ' OG1' ' A' ' 84' ' ' THR . 32.8 t80 -52.1 -56.47 14.22 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.736 179.252 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 10.9 mt -53.6 -50.49 49.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.763 -179.641 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 2.1 tpt180 -58.27 -55.22 37.84 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 111.645 0.239 . . . . 0.0 111.645 -179.598 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 21.3 t -70.35 -41.58 78.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -178.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.404 ' OG1' ' CD1' ' A' ' 80' ' ' PHE . 29.0 m -61.29 -42.91 99.45 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.321 -179.754 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -53.87 -47.5 70.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.055 0.455 . . . . 0.0 111.268 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 35.1 m-20 -58.72 -40.03 82.54 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.892 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.81 -39.88 82.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.61 179.736 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 28.7 mm -75.56 -50.82 22.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.364 179.761 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 99.4 m-85 -88.01 -71.8 0.56 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.974 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.23 -161.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.59 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 78.2 mm-40 63.05 158.57 0.07 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.805 0.336 . . . . 0.0 110.882 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -89.36 157.42 26.79 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.702 -0.761 . . . . 0.0 113.185 -179.599 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -54.07 -54.24 42.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.983 0.42 . . . . 0.0 110.639 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.25 -10.57 24.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.842 -0.617 . . . . 0.0 112.365 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.38 -41.27 61.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.798 0.332 . . . . 0.0 110.796 -179.698 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.492 ' HE1' HD13 ' A' ' 100' ' ' LEU . 0.1 OUTLIER -68.1 -43.44 78.47 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.391 179.627 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 27.3 t30 -69.48 -34.4 74.29 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.864 179.657 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 5.5 mtt180 -63.17 -58.0 8.68 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.629 -179.485 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 39.2 t -80.68 -35.48 14.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 112.767 0.655 . . . . 0.0 112.767 -178.228 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.492 HD13 ' HE1' ' A' ' 96' ' ' PHE . 0.5 OUTLIER -88.34 -26.39 22.25 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 119.613 -0.835 . . . . 0.0 111.806 -178.087 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -41.0 -57.02 3.05 Favored Glycine 0 CA--C 1.522 0.471 0 C-N-CA 121.152 -0.547 . . . . 0.0 113.195 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_exo -66.35 -11.1 30.04 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.716 2.277 . . . . 0.0 112.265 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.476 ' CG2' ' HA ' ' A' ' 100' ' ' LEU . 20.8 t -79.87 -53.62 12.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.424 -179.405 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.817 ' O ' HG23 ' A' ' 108' ' ' VAL . 98.5 t -68.77 -30.34 46.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.9 0.381 . . . . 0.0 111.105 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -55.25 -53.64 53.47 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.391 179.529 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -48.85 -41.61 28.27 Favored Glycine 0 CA--C 1.519 0.331 0 C-N-CA 120.85 -0.69 . . . . 0.0 112.541 179.53 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.597 HD13 ' CZ2' ' A' ' 127' ' ' TRP . 64.0 mt -71.66 -39.85 69.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.757 0.313 . . . . 0.0 111.046 -179.805 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.817 HG23 ' O ' ' A' ' 104' ' ' VAL . 36.6 t -63.14 -37.21 78.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.734 179.476 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -66.67 -31.91 79.86 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.37 179.719 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 75.6 mtp -79.78 -29.71 40.45 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.589 0.233 . . . . 0.0 110.649 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -86.56 -37.6 18.0 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.974 0.731 . . . . 0.0 112.974 -177.179 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' ASP . . . . . 0.407 ' O ' ' HB2' ' A' ' 113' ' ' LYS . 65.6 m-20 -64.14 -72.16 0.15 Allowed 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.1 -0.64 . . . . 0.0 110.131 -179.348 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.407 ' HB2' ' O ' ' A' ' 112' ' ' ASP . 0.1 OUTLIER 81.85 -4.14 1.54 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.201 -178.638 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 114' ' ' ASN . . . . . 0.585 ' O ' ' HB3' ' A' ' 115' ' ' ALA . 1.9 p30 -106.34 -23.64 12.48 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 178.552 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.585 ' HB3' ' O ' ' A' ' 114' ' ' ASN . . . 82.2 55.08 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.128 0 N-CA-C 112.785 0.661 . . . . 0.0 112.785 178.819 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 37.7 p-10 -113.98 -18.2 11.79 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 121.151 -0.219 . . . . 0.0 110.862 179.279 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 79.33 11.91 84.44 Favored Glycine 0 CA--C 1.52 0.344 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.77 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 5.4 mm-40 -125.73 160.99 28.33 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.866 0.365 . . . . 0.0 111.643 -179.498 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.617 ' CD1' HG13 ' A' ' 108' ' ' VAL . 37.0 mm -109.44 103.24 15.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.875 -179.35 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -84.34 161.86 20.25 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 179.065 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -50.62 -37.52 40.74 Favored 'General case' 0 N--CA 1.464 0.241 0 C-N-CA 120.912 -0.315 . . . . 0.0 111.63 -178.507 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.88 -28.78 65.93 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 178.649 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -79.88 -48.98 12.6 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.159 178.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -55.27 -52.16 64.31 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.233 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.496 ' HA ' ' HB1' ' A' ' 138' ' ' ALA . . . -54.78 -41.3 70.35 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.107 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -55.54 -34.17 64.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.751 -179.67 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 127' ' ' TRP . . . . . 0.597 ' CZ2' HD13 ' A' ' 107' ' ' ILE . 14.3 t90 -84.2 -46.58 11.73 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 -178.212 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.57 HD12 ' HA ' ' A' ' 138' ' ' ALA . 22.5 mt -58.49 -40.42 82.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.946 0.403 . . . . 0.0 110.554 -179.508 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 129' ' ' THR . . . . . 0.447 HG23 ' O ' ' A' ' 125' ' ' ALA . 68.3 p -72.65 -28.49 62.76 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.36 179.388 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.57 -34.34 74.02 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.999 -179.698 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 51.5 mt -85.94 7.17 25.33 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 111.85 0.315 . . . . 0.0 111.85 -179.453 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 99.19 28.01 7.89 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.378 -0.915 . . . . 0.0 113.959 178.79 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 133' ' ' MET . . . . . 0.429 ' CG ' ' O ' ' A' ' 128' ' ' LEU . 17.3 mmt -98.57 156.81 16.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 117.292 0.546 . . . . 0.0 110.152 179.026 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 29.4 t -81.2 163.28 23.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.892 0.377 . . . . 0.0 111.203 -179.491 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.07 -27.94 69.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.908 -179.231 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -79.86 -22.99 42.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.523 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 137' ' ' GLU . . . . . 0.422 ' O ' ' HG2' ' A' ' 140' ' ' GLU . 0.0 OUTLIER -72.1 -41.73 66.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.754 -179.103 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 138' ' ' ALA . . . . . 0.57 ' HA ' HD12 ' A' ' 128' ' ' LEU . . . -64.42 -51.84 61.17 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.529 -179.448 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -50.09 -44.46 51.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.727 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 140' ' ' GLU . . . . . 0.422 ' HG2' ' O ' ' A' ' 137' ' ' GLU . 11.8 pt-20 -71.67 -41.96 68.08 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.872 0.368 . . . . 0.0 111.141 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 141' ' ' ALA . . . . . 0.489 ' O ' HG23 ' A' ' 145' ' ' VAL . . . -64.94 -39.79 94.03 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.704 -179.531 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -51.93 -59.33 4.45 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.27 179.193 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 68.3 m-20 -56.46 -35.39 67.86 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.912 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -63.86 -36.93 85.53 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 -179.179 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 145' ' ' VAL . . . . . 0.489 HG23 ' O ' ' A' ' 141' ' ' ALA . 15.6 t -83.91 -32.8 8.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 112.751 0.649 . . . . 0.0 112.751 -178.302 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.09 77.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.152 0.501 . . . . 0.0 111.634 -178.611 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 147' ' ' THR . . . . . 0.468 ' N ' ' O ' ' A' ' 145' ' ' VAL . 1.3 m -58.03 -33.71 69.28 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.556 -0.747 . . . . 0.0 112.495 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 53.6 p30 -97.54 5.95 48.81 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 -178.692 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 41.1 34.31 0.86 Allowed Glycine 0 C--N 1.335 0.478 0 C-N-CA 121.026 -0.607 . . . . 0.0 113.312 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 6.4 p-10 -90.1 -6.95 54.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.605 0.241 . . . . 0.0 111.571 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 88.82 4.07 76.09 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.53 -0.843 . . . . 0.0 113.35 179.449 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -135.95 137.28 41.14 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-N 117.601 0.7 . . . . 0.0 111.211 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 0.448 ' HA ' HD23 ' A' ' 153' ' ' LEU . 12.1 mt -101.24 102.46 13.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.96 179.573 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -89.27 166.81 13.54 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-O 121.015 0.436 . . . . 0.0 111.761 -179.721 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 5.0 tt -47.31 -45.63 24.47 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.733 -179.645 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -57.86 -52.15 66.67 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.395 0.617 . . . . 0.0 110.687 179.51 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -64.4 -21.52 66.67 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.95 -1.023 . . . . 0.0 112.893 -178.286 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 158' ' ' LEU . . . . . 0.463 HD11 HG13 ' A' ' 119' ' ' ILE . 0.4 OUTLIER -71.91 -30.26 65.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.976 0.417 . . . . 0.0 110.312 179.261 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 0.62 ' N ' HD23 ' A' ' 159' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--N 1.331 -0.223 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.063 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 37.1 mm . . . . . 0 N--CA 1.456 -0.135 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.69 -36.95 77.51 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.854 -179.309 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.8 m -61.72 -49.33 76.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.855 0.359 . . . . 0.0 110.882 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.19 -51.31 66.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.609 -179.371 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.31 -41.4 98.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.385 -178.756 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.922 HD13 HG23 ' A' ' 81' ' ' ILE . 18.2 mt -76.84 -34.44 57.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.585 0.231 . . . . 0.0 111.515 -179.18 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.1 tmtt? -61.43 -56.74 16.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.52 179.782 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.448 ' O ' ' N ' ' A' ' 15' ' ' ARG . 6.1 mmtp -56.91 -46.75 81.76 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.564 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -47.91 -36.8 12.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.683 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -73.72 -55.38 6.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.922 0.391 . . . . 0.0 110.817 -179.729 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -68.89 -18.74 64.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.214 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -69.55 -18.08 63.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.79 -0.187 . . . . 0.0 111.162 -179.315 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 6.0 m0 -102.38 -94.63 0.3 Allowed 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 121.196 -0.202 . . . . 0.0 111.09 179.725 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 41.68 73.0 0.14 Allowed 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 121.102 0.477 . . . . 0.0 110.951 -179.445 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -53.49 -48.11 69.23 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.603 -178.55 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -97.76 -13.79 21.19 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -178.804 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 78.75 42.38 13.39 Favored Glycine 0 CA--C 1.52 0.369 0 C-N-CA 120.468 -0.872 . . . . 0.0 113.388 179.522 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 44.0 p-10 -93.89 -13.73 26.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 117.096 0.448 . . . . 0.0 111.703 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 87.86 21.31 47.19 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.42 -0.895 . . . . 0.0 112.218 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -155.44 169.96 23.03 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.721 0.296 . . . . 0.0 110.798 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -111.11 121.58 45.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.76 179.553 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -120.66 174.36 6.62 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.108 0.48 . . . . 0.0 110.454 179.66 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.41 ' NH2' ' OG ' ' A' ' 71' ' ' SER . 6.8 ttm180 -67.82 -37.97 82.62 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.198 -179.722 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.0 -20.21 62.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.172 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -68.68 -31.76 71.09 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.191 179.681 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -77.08 -37.96 53.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.993 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -63.78 -41.5 97.95 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 20.8 mmtt -67.13 -45.45 77.07 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.757 178.776 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.433 ' O ' HG12 ' A' ' 36' ' ' ILE . 2.1 tt0 -52.11 -52.88 48.67 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.236 179.68 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -51.28 -51.54 53.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.137 0.494 . . . . 0.0 110.609 179.503 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 8.3 tp60 -60.65 -49.86 75.82 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.657 -0.702 . . . . 0.0 110.851 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -51.52 -23.97 4.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.768 -179.549 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.434 ' CD1' HD21 ' A' ' 131' ' ' LEU . 8.6 mm -85.01 -52.79 11.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.432 179.688 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -44.65 -43.92 8.64 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 120.84 0.352 . . . . 0.0 111.605 -179.299 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.77 -40.02 90.97 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.179 179.683 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -58.96 -29.81 67.44 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.092 -179.738 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -87.67 3.2 48.75 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.78 179.535 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 46.58 76.3 0.14 Allowed Glycine 0 C--N 1.339 0.716 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.468 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.01 -151.69 0.4 Allowed 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 110.321 -0.251 . . . . 0.0 110.321 -179.514 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -66.43 -172.98 0.18 Allowed 'General case' 0 CA--C 1.528 0.12 0 CA-C-O 120.785 0.326 . . . . 0.0 111.402 -178.89 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.854 ' O ' HG11 ' A' ' 49' ' ' VAL . . . -138.67 -60.56 0.59 Allowed 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 178.346 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -95.17 24.87 26.84 Favored Glycine 0 CA--C 1.521 0.422 0 CA-C-N 115.168 -0.924 . . . . 0.0 112.411 179.639 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.52 -167.25 0.24 Allowed 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 117.147 0.474 . . . . 0.0 111.82 179.552 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -85.23 -52.56 5.82 Favored 'General case' 0 C--O 1.23 0.076 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.887 179.483 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.494 ' HB3' ' HG2' ' A' ' 110' ' ' MET . 32.6 mm-40 -52.89 -36.27 59.04 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.143 -178.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.854 HG11 ' O ' ' A' ' 44' ' ' ALA . 7.6 p -77.36 -40.69 29.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.279 -0.418 . . . . 0.0 109.901 179.399 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.8 tt0 -59.79 -42.49 93.51 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 178.859 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 3.2 m -57.9 -56.03 27.27 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.41 178.707 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 13.7 tp -50.85 -60.82 2.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.957 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.1 -37.83 35.73 Favored 'General case' 0 N--CA 1.462 0.159 0 C-N-CA 121.058 -0.257 . . . . 0.0 110.569 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -59.83 -41.98 92.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.784 0.326 . . . . 0.0 110.268 179.232 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.51 -45.64 78.9 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.759 179.497 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -57.74 -31.55 66.57 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.977 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -63.61 -50.63 60.36 Favored Glycine 0 C--N 1.331 0.299 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.559 179.544 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -61.79 -29.41 72.14 Favored Glycine 0 C--N 1.333 0.363 0 C-N-CA 120.564 -0.827 . . . . 0.0 111.993 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.555 HD13 HG21 ' A' ' 103' ' ' VAL . 41.0 tp -56.0 -42.62 76.67 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.601 0.239 . . . . 0.0 111.036 -179.789 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.47 ' CE1' ' HB2' ' A' ' 64' ' ' ALA . 32.8 t80 -61.19 -38.79 87.82 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.614 -0.266 . . . . 0.0 111.042 179.833 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -44.67 -45.63 9.82 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 121.034 0.445 . . . . 0.0 111.025 179.759 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.722 ' CD1' HG21 ' A' ' 99' ' ' VAL . 7.9 t80 -59.14 -39.35 82.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.944 179.74 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 93.8 mt -66.52 -56.95 8.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.81 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.47 ' HB2' ' CE1' ' A' ' 60' ' ' PHE . . . -53.74 -47.2 70.86 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.308 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.4 ttmt -65.22 -54.2 33.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.44 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -60.86 -41.54 96.1 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 120.822 0.344 . . . . 0.0 110.878 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -77.8 -22.9 49.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.738 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 71.52 51.48 16.34 Favored Glycine 0 CA--C 1.519 0.307 0 C-N-CA 121.057 -0.592 . . . . 0.0 114.082 178.817 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.596 HG13 ' H ' ' A' ' 70' ' ' GLY . 0.4 OUTLIER -123.69 -79.79 0.25 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 CA-C-N 116.777 0.288 . . . . 0.0 111.038 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.596 ' H ' HG13 ' A' ' 69' ' ' VAL . . . 168.01 157.77 11.43 Favored Glycine 0 CA--C 1.52 0.354 0 C-N-CA 121.071 -0.585 . . . . 0.0 112.104 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.41 ' OG ' ' NH2' ' A' ' 26' ' ' ARG . 37.2 t -63.36 -19.11 64.36 Favored 'General case' 0 C--N 1.33 -0.257 0 O-C-N 122.664 -0.315 . . . . 0.0 111.585 179.29 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 23.6 p30 -114.41 12.51 17.5 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.694 -179.08 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -94.18 -164.18 36.15 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.388 -0.91 . . . . 0.0 112.914 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 85.0 p -142.05 154.7 45.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.82 0.343 . . . . 0.0 111.428 -179.096 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -116.47 144.49 44.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.672 179.446 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 12.4 p -87.05 177.22 7.28 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.009 0.433 . . . . 0.0 111.433 -179.525 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -65.94 -50.48 64.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.138 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -58.93 -26.42 64.36 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.882 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 23.8 mm-40 -71.26 -46.02 61.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.779 0.323 . . . . 0.0 111.122 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.407 ' O ' ' CB ' ' A' ' 84' ' ' THR . 68.4 t80 -52.79 -49.42 65.64 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.063 0.459 . . . . 0.0 110.923 179.713 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.922 HG23 HD13 ' A' ' 9' ' ' LEU . 50.8 mt -55.58 -56.17 13.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.532 -179.714 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -55.58 -52.79 62.56 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.74 -179.276 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 15.6 t -71.75 -36.37 58.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 -178.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.407 ' CB ' ' O ' ' A' ' 80' ' ' PHE . 26.0 m -63.43 -43.91 96.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.06 0.457 . . . . 0.0 110.024 179.607 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -50.43 -53.05 32.38 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.471 179.717 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -59.55 -38.7 81.79 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.36 -179.589 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.7 mt -58.06 -48.56 79.74 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.814 0.34 . . . . 0.0 111.008 179.78 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 6.3 mt -74.51 -37.07 43.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.228 -179.693 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -88.75 -81.63 0.26 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.862 0.363 . . . . 0.0 110.409 179.37 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.406 ' O ' ' HB2' ' A' ' 91' ' ' GLN . 0.4 OUTLIER -62.01 -162.35 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.831 179.819 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.406 ' HB2' ' O ' ' A' ' 90' ' ' GLU . 72.4 mm-40 73.31 134.94 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.059 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -78.2 158.27 45.73 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.462 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -53.01 -51.26 62.22 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.922 0.392 . . . . 0.0 111.08 -179.723 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.76 -13.26 30.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.946 -0.57 . . . . 0.0 112.232 -179.723 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 53.0 m -77.04 -48.59 17.46 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.935 0.398 . . . . 0.0 111.177 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.513 ' HE1' HD22 ' A' ' 100' ' ' LEU . 0.7 OUTLIER -66.81 -43.07 84.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.921 -179.734 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.415 ' O ' ' N ' ' A' ' 101' ' ' GLY . 6.5 m-20 -68.74 -34.39 75.53 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.702 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 1.7 ttp180 -62.14 -66.58 0.52 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.742 0.306 . . . . 0.0 111.507 -178.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.722 HG21 ' CD1' ' A' ' 62' ' ' TYR . 67.8 t -69.68 -35.12 64.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 112.47 0.544 . . . . 0.0 112.47 -178.236 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.513 HD22 ' HE1' ' A' ' 96' ' ' PHE . 0.6 OUTLIER -89.22 -26.07 21.41 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 119.587 -0.845 . . . . 0.0 111.901 -178.532 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 97' ' ' ASN . . . -38.6 -63.46 1.0 Allowed Glycine 0 CA--C 1.523 0.557 0 C-N-CA 121.227 -0.511 . . . . 0.0 113.142 179.682 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo -63.84 -9.34 18.5 Favored 'Trans proline' 0 CA--C 1.532 0.416 0 C-N-CA 122.684 2.256 . . . . 0.0 112.83 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.555 HG21 HD13 ' A' ' 59' ' ' LEU . 41.2 t -80.08 -54.9 10.02 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 CA-C-O 120.662 0.268 . . . . 0.0 111.022 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.879 ' O ' HG23 ' A' ' 108' ' ' VAL . 97.2 t -66.85 -31.66 54.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 121.061 0.457 . . . . 0.0 110.81 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 7.1 mttt -58.82 -47.03 86.22 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.025 178.766 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -51.87 -40.84 50.58 Favored Glycine 0 C--N 1.334 0.453 0 CA-C-N 115.86 -0.609 . . . . 0.0 112.696 179.726 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 78.1 mt -71.87 -39.47 67.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.992 0.425 . . . . 0.0 110.385 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.879 HG23 ' O ' ' A' ' 104' ' ' VAL . 13.9 t -64.45 -36.54 77.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.298 179.49 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -63.32 -37.95 95.66 Favored Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.885 -0.674 . . . . 0.0 112.94 -179.496 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' MET . . . . . 0.494 ' HG2' ' HB3' ' A' ' 48' ' ' GLU . 92.0 mtp -79.36 -24.73 42.48 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.712 0.291 . . . . 0.0 110.578 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 78.9 m -98.5 -17.81 18.54 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 113.293 0.849 . . . . 0.0 113.293 -177.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -67.51 103.74 1.4 Allowed 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.291 -0.564 . . . . 0.0 111.408 -178.57 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 23.0 mmtp -87.49 -17.93 31.0 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.057 179.208 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 40.3 p30 -110.69 1.48 17.95 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.768 -0.196 . . . . 0.0 111.342 179.239 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . 41.62 64.46 1.05 Allowed 'General case' 0 N--CA 1.462 0.172 0 N-CA-C 111.914 0.339 . . . . 0.0 111.914 179.719 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 56.7 p30 -121.81 -8.22 8.95 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 111.647 0.239 . . . . 0.0 111.647 179.24 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 83.19 4.98 89.44 Favored Glycine 0 C--N 1.334 0.447 0 C-N-CA 121.004 -0.617 . . . . 0.0 113.214 179.703 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -123.22 162.71 22.05 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.995 0.426 . . . . 0.0 110.926 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.561 HG13 HD11 ' A' ' 158' ' ' LEU . 49.3 mm -105.8 102.15 13.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.386 -179.62 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -84.12 162.35 20.31 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 179.617 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.417 ' HA ' ' CE2' ' A' ' 142' ' ' PHE . . . -53.38 -38.57 63.48 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 121.015 -0.274 . . . . 0.0 111.276 -179.146 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -70.21 -25.49 63.43 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.924 -0.398 . . . . 0.0 109.924 179.235 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -82.54 -46.87 12.83 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.978 -0.379 . . . . 0.0 109.978 178.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 124' ' ' PHE . . . . . 0.486 ' CD1' HG21 ' A' ' 119' ' ' ILE . 0.8 OUTLIER -56.9 -46.7 81.75 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.872 0.367 . . . . 0.0 111.073 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -59.23 -45.31 91.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.43 -179.596 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -55.31 -32.39 62.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.427 -179.487 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 127' ' ' TRP . . . . . 0.402 ' O ' ' HB3' ' A' ' 130' ' ' ALA . 17.0 t90 -87.85 -41.3 13.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.602 0.239 . . . . 0.0 111.564 -178.87 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.469 HD22 ' HA ' ' A' ' 138' ' ' ALA . 0.2 OUTLIER -56.64 -42.42 78.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.925 0.393 . . . . 0.0 110.217 179.852 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 12.4 p -70.13 -25.3 63.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.37 179.265 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 130' ' ' ALA . . . . . 0.402 ' HB3' ' O ' ' A' ' 127' ' ' TRP . . . -66.67 -38.3 86.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.596 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.434 HD21 ' CD1' ' A' ' 36' ' ' ILE . 12.7 mt -81.65 6.41 15.25 Favored 'General case' 0 N--CA 1.464 0.271 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 -177.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 99.77 22.81 11.61 Favored Glycine 0 CA--C 1.518 0.263 0 C-N-CA 120.391 -0.909 . . . . 0.0 113.231 179.051 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 133' ' ' MET . . . . . 0.406 ' HB2' ' O ' ' A' ' 128' ' ' LEU . 7.6 mmt -99.72 156.07 17.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.729 0.265 . . . . 0.0 110.721 179.504 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 1.1 m -82.21 169.17 16.89 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.138 0.494 . . . . 0.0 111.748 -179.515 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 1.8 mmtp -70.07 -18.57 63.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.858 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -89.16 -24.7 22.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.934 0.397 . . . . 0.0 110.953 179.54 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -69.25 -40.95 77.55 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.606 -179.028 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 138' ' ' ALA . . . . . 0.469 ' HA ' HD22 ' A' ' 128' ' ' LEU . . . -61.0 -61.05 2.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.817 0.341 . . . . 0.0 111.24 -179.566 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -44.96 -45.16 10.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.118 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.57 -49.28 55.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.86 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 141' ' ' ALA . . . . . 0.707 ' O ' HG23 ' A' ' 145' ' ' VAL . . . -62.07 -40.07 94.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.397 -179.444 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 142' ' ' PHE . . . . . 0.417 ' CE2' ' HA ' ' A' ' 121' ' ' ALA . 55.0 t80 -49.8 -58.92 4.4 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.979 179.347 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -55.91 -38.04 69.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.091 -0.504 . . . . 0.0 112.125 -179.334 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -63.41 -35.2 79.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.974 0.416 . . . . 0.0 111.224 -179.506 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 145' ' ' VAL . . . . . 0.707 HG23 ' O ' ' A' ' 141' ' ' ALA . 13.2 t -83.72 -38.36 14.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.752 -0.658 . . . . 0.0 112.754 -178.12 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.92 78.31 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.037 0.446 . . . . 0.0 111.51 -179.007 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 147' ' ' THR . . . . . 0.451 ' N ' ' O ' ' A' ' 145' ' ' VAL . 1.9 m -56.84 -29.84 63.23 Favored 'General case' 0 N--CA 1.463 0.208 0 N-CA-C 112.959 0.726 . . . . 0.0 112.959 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -102.6 8.38 39.77 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -178.759 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 38.14 35.03 0.24 Allowed Glycine 0 C--N 1.339 0.71 0 C-N-CA 121.305 -0.474 . . . . 0.0 113.452 179.546 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 15.6 p-10 -91.53 -4.59 55.27 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 -179.275 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 92.08 -1.03 73.27 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.414 -0.898 . . . . 0.0 113.366 179.251 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -134.67 135.01 41.74 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 117.269 0.535 . . . . 0.0 110.525 179.633 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 0.469 ' HA ' HD23 ' A' ' 153' ' ' LEU . 8.3 mt -93.39 113.13 25.22 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.899 178.841 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.4 157.11 17.77 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.968 -179.223 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 155' ' ' LEU . . . . . 0.415 ' O ' ' HG ' ' A' ' 159' ' ' LEU . 46.1 mt -49.62 -42.91 46.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.404 179.594 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.58 -53.57 54.84 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.39 -179.7 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -63.13 -19.86 64.85 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.648 0.61 . . . . 0.0 112.648 -178.608 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 158' ' ' LEU . . . . . 0.561 HD11 HG13 ' A' ' 119' ' ' ILE . 62.8 mt -75.05 -69.69 0.46 Allowed 'General case' 0 CA--C 1.53 0.187 0 CA-C-O 121.065 0.46 . . . . 0.0 110.973 179.088 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 0.555 ' CD2' HG21 ' A' ' 104' ' ' VAL . 0.7 OUTLIER . . . . . 0 N--CA 1.469 0.489 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.648 -179.142 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 12.6 t . . . . . 0 N--CA 1.488 1.429 0 CA-C-O 120.818 0.342 . . . . 0.0 111.243 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -74.62 140.17 44.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.084 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -153.97 -81.82 0.08 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.012 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 36.9 mm -80.33 -26.67 11.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.927 179.524 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.75 -35.98 82.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.972 -179.34 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.0 p -60.7 -49.7 76.45 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.804 0.335 . . . . 0.0 111.37 -179.698 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -56.2 -48.89 75.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.682 -179.366 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.25 -48.21 82.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.486 -178.868 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.8 mt -76.73 -29.09 56.05 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.699 0.285 . . . . 0.0 111.536 -179.335 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.9 tmtt? -61.04 -55.06 37.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.748 0.308 . . . . 0.0 111.137 -179.529 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 44.4 mttp -58.63 -45.39 89.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.927 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.97 -28.14 1.52 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.179 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.419 ' CD2' ' OE1' ' A' ' 77' ' ' GLU . 68.3 t80 -72.69 -58.72 3.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.243 179.699 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.95 -14.42 62.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.909 179.2 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 8.8 mtp180 -73.73 -25.35 60.15 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.684 -0.235 . . . . 0.0 111.127 -179.641 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 56.3 m95 -97.45 -98.29 0.2 Allowed 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.852 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 39.71 73.94 0.11 Allowed 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 120.991 0.424 . . . . 0.0 111.517 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.407 ' CE2' ' N ' ' A' ' 32' ' ' GLU . 0.3 OUTLIER -54.39 -50.97 66.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.344 -179.023 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 18.3 p-10 -97.88 -12.17 22.41 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 111.611 0.226 . . . . 0.0 111.611 -179.683 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 74.6 45.72 21.74 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.575 -0.822 . . . . 0.0 112.325 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 15.6 p-10 -92.15 -10.23 39.56 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.701 0.26 . . . . 0.0 111.701 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 84.91 20.13 58.31 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.488 -0.863 . . . . 0.0 112.19 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.599 ' HB1' ' HB2' ' A' ' 74' ' ' SER . . . -155.26 175.2 14.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.792 0.33 . . . . 0.0 110.678 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -112.67 116.29 29.91 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.796 179.695 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.403 ' O ' ' HB2' ' A' ' 28' ' ' ASP . 13.6 mt-10 -116.2 172.07 7.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.447 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 21.8 ttt180 -69.69 -39.19 77.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.192 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.89 -22.59 49.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 179.503 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.403 ' HB2' ' O ' ' A' ' 25' ' ' GLU . 0.4 OUTLIER -71.42 -28.49 64.03 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.764 179.221 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -77.07 -36.54 55.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.975 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -64.75 -44.68 89.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.043 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.3 mttp -64.42 -37.88 89.09 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.118 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.423 ' O ' HG12 ' A' ' 36' ' ' ILE . 1.9 tm-20 -52.36 -63.64 1.08 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.226 179.475 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -47.0 -48.61 21.72 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.933 0.397 . . . . 0.0 111.039 179.627 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.32 -52.39 63.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.407 179.654 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -54.45 -26.67 32.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.883 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.423 HG12 ' O ' ' A' ' 32' ' ' GLU . 28.8 mm -82.5 -53.36 11.91 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.973 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -43.25 -43.17 4.67 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 121.024 0.44 . . . . 0.0 111.218 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -60.12 -38.72 83.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.535 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -57.36 -26.22 60.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.413 -179.413 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -90.24 6.38 43.11 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.58 0.229 . . . . 0.0 111.45 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 50.83 69.86 1.0 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.436 -0.888 . . . . 0.0 112.24 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.6 mttm -148.3 -152.81 0.46 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 110.149 -0.315 . . . . 0.0 110.149 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -68.8 -166.76 0.08 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.01 0.433 . . . . 0.0 111.562 -179.259 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -140.32 -60.08 0.53 Allowed 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 178.415 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -93.43 22.94 32.45 Favored Glycine 0 N--CA 1.451 -0.311 0 CA-C-N 114.932 -1.031 . . . . 0.0 112.232 179.684 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.24 -159.43 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 117.442 0.621 . . . . 0.0 110.845 179.181 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -89.24 -51.47 5.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.948 0.404 . . . . 0.0 110.388 178.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -51.79 -40.5 60.47 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.708 -179.529 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 43.1 t -76.41 -41.32 35.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 C-N-CA 121.05 -0.26 . . . . 0.0 110.443 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -60.75 -40.71 93.48 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 178.696 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 21.1 m -57.22 -58.83 6.49 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.04 178.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 50.0 tp -50.33 -58.77 4.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.317 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.81 -39.13 52.15 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.894 0.378 . . . . 0.0 110.219 179.129 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -58.98 -43.73 91.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.255 179.493 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.41 -49.94 56.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.055 179.532 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -51.15 -30.9 18.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.983 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -62.59 -51.14 58.26 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.537 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -61.13 -28.55 69.19 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.579 -0.82 . . . . 0.0 112.358 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.741 HD12 HG21 ' A' ' 103' ' ' VAL . 0.6 OUTLIER -56.05 -41.74 75.49 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.874 0.369 . . . . 0.0 110.573 179.885 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 77.6 t80 -60.23 -40.81 91.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.425 179.479 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -45.27 -49.71 12.33 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.441 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -57.22 -39.26 75.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.966 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.458 ' HB3' HD11 ' A' ' 75' ' ' LEU . 80.2 mt -64.73 -54.37 32.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.846 179.58 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -56.0 -42.04 75.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.957 0.408 . . . . 0.0 110.903 179.658 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.7 -57.02 7.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.376 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -60.55 -42.15 95.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.891 -179.653 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.443 ' CB ' ' CD2' ' A' ' 75' ' ' LEU . . . -76.06 -25.98 56.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.974 0.416 . . . . 0.0 111.255 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 75.82 45.8 15.87 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 121.113 -0.565 . . . . 0.0 113.809 178.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 41.7 t -115.99 -78.66 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.762 0.281 . . . . 0.0 111.228 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 166.56 158.22 10.98 Favored Glycine 0 C--N 1.331 0.293 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.333 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 23.6 t -61.72 -21.93 64.93 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.695 0.283 . . . . 0.0 111.107 179.236 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -114.34 12.09 17.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.368 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -92.65 -165.83 38.65 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.564 -0.827 . . . . 0.0 112.271 179.722 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.599 ' HB2' ' HB1' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -141.4 154.14 45.44 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.049 0.452 . . . . 0.0 111.787 -179.155 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.458 HD11 ' HB3' ' A' ' 63' ' ' LEU . 1.3 mt -113.72 140.09 48.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.294 179.318 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 3.0 p -87.13 177.66 7.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.876 0.369 . . . . 0.0 111.1 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.419 ' OE1' ' CD2' ' A' ' 13' ' ' PHE . 2.3 tt0 -65.61 -50.83 63.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.188 179.663 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.53 -29.61 66.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.405 179.513 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.446 ' O ' HG22 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -72.74 -43.89 62.34 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.936 0.398 . . . . 0.0 110.576 179.335 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.681 ' O ' HG23 ' A' ' 84' ' ' THR . 6.9 t80 -52.63 -56.53 14.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.836 179.407 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 49.7 mt -54.02 -51.63 44.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.715 -179.592 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 7.6 ttt85 -56.56 -51.36 68.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.52 -179.528 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.446 HG22 ' O ' ' A' ' 79' ' ' GLN . 16.7 m -72.3 -39.93 64.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 -179.331 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.681 HG23 ' O ' ' A' ' 80' ' ' PHE . 36.7 p -61.15 -44.41 97.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.901 0.381 . . . . 0.0 110.194 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -49.71 -51.91 35.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.163 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.418 ' O ' ' N ' ' A' ' 90' ' ' GLU . 1.1 m-20 -60.1 -38.3 82.55 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.162 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.2 mt -58.7 -45.65 89.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.985 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.529 HD12 ' HG3' ' A' ' 163' ' ' ARG . 4.9 mm -73.35 -43.76 55.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.912 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -90.13 -78.33 0.37 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.889 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.418 ' N ' ' O ' ' A' ' 86' ' ' ASN . 0.3 OUTLIER -57.32 -162.12 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.897 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 66.88 147.64 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.646 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -79.96 155.53 38.85 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.794 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -52.62 -53.8 41.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.128 0.49 . . . . 0.0 110.168 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -63.08 -11.13 17.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.926 179.492 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 4.3 m -74.78 -43.97 51.99 Favored 'General case' 0 C--N 1.334 -0.089 0 CA-C-O 120.816 0.341 . . . . 0.0 111.074 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.444 ' CZ ' ' HG2' ' A' ' 163' ' ' ARG . 8.9 t80 -68.41 -42.04 79.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.087 0.47 . . . . 0.0 110.25 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 43.7 t30 -67.25 -34.18 76.89 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.151 179.595 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 12.6 mmm-85 -63.7 -61.4 2.33 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.115 -0.493 . . . . 0.0 112.101 -179.42 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 10.5 t -76.75 -36.09 26.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 N-CA-C 113.008 0.744 . . . . 0.0 113.008 -177.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.826 HD13 ' HB ' ' A' ' 103' ' ' VAL . 0.2 OUTLIER -88.05 -27.62 21.88 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 119.708 -0.797 . . . . 0.0 111.558 -178.203 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.465 ' N ' ' HD2' ' A' ' 102' ' ' PRO . . . -43.48 -57.87 4.25 Favored Glycine 0 CA--C 1.522 0.518 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.848 179.58 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.465 ' HD2' ' N ' ' A' ' 101' ' ' GLY . 31.8 Cg_endo -64.58 -17.95 61.22 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.551 2.167 . . . . 0.0 112.261 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.826 ' HB ' HD13 ' A' ' 100' ' ' LEU . 44.4 t -81.05 -51.64 15.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 C-N-CA 120.786 -0.366 . . . . 0.0 110.452 179.715 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.811 HG21 HD22 ' A' ' 159' ' ' LEU . 4.4 t -69.59 -36.7 72.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.286 179.035 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.19 -58.04 9.32 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.697 179.561 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -42.91 -32.68 1.49 Allowed Glycine 0 C--N 1.333 0.409 0 C-N-CA 120.918 -0.658 . . . . 0.0 112.549 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 15.9 mt -74.57 -38.92 46.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.767 0.318 . . . . 0.0 110.853 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.724 HG21 ' CD2' ' A' ' 155' ' ' LEU . 46.3 t -63.7 -35.71 73.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.694 179.519 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -58.52 -42.29 95.88 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.118 179.656 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -79.4 -23.36 43.31 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 179.53 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 8.5 t -94.62 43.95 1.1 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.192 0.52 . . . . 0.0 111.346 -178.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -166.56 108.62 0.71 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.47 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.77 4.81 53.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.04 178.338 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 17.5 p30 -107.99 -19.58 13.46 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-O 120.801 0.334 . . . . 0.0 110.719 179.383 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . 65.67 61.44 0.68 Allowed 'General case' 0 C--N 1.334 -0.081 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.929 179.316 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 58.2 p30 -115.27 -14.0 11.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.34 179.604 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 81.25 8.83 86.77 Favored Glycine 0 CA--C 1.521 0.419 0 C-N-CA 120.838 -0.696 . . . . 0.0 113.077 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -125.17 164.26 20.65 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.024 0.44 . . . . 0.0 111.608 -179.634 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.693 HG13 HD11 ' A' ' 158' ' ' LEU . 35.8 mm -110.89 102.4 13.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.642 -179.302 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' ASN . . . . . 0.406 ' O ' ' N ' ' A' ' 123' ' ' GLU . 2.8 m-20 -85.08 158.16 20.51 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 179.332 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -47.42 -38.29 13.1 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 111.573 0.212 . . . . 0.0 111.573 -178.748 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -69.48 -26.44 64.56 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 110.024 -0.361 . . . . 0.0 110.024 179.284 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 120' ' ' ASN . 42.4 mt-10 -81.39 -46.29 14.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.056 178.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' PHE . . . . . 0.529 ' CE2' HD11 ' A' ' 128' ' ' LEU . 1.9 t80 -57.25 -49.31 76.45 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.0 0.428 . . . . 0.0 111.071 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.425 ' HA ' ' CB ' ' A' ' 138' ' ' ALA . . . -55.36 -46.2 76.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.064 -179.612 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -54.48 -32.82 58.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.613 -179.612 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 14.2 t90 -82.94 -43.72 16.14 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 111.813 0.301 . . . . 0.0 111.813 -179.047 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.529 HD11 ' CE2' ' A' ' 124' ' ' PHE . 0.3 OUTLIER -60.37 -40.55 91.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.087 -179.327 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 129' ' ' THR . . . . . 0.421 ' HA ' ' O ' ' A' ' 133' ' ' MET . 0.2 OUTLIER -72.52 -27.08 62.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.058 0.456 . . . . 0.0 109.918 179.05 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -65.53 -37.93 88.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.732 179.362 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 31.9 mt -85.49 -6.28 59.21 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 112.215 0.45 . . . . 0.0 112.215 -178.385 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 112.11 26.88 4.18 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.213 -0.994 . . . . 0.0 113.769 179.015 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' MET . . . . . 0.421 ' O ' ' HA ' ' A' ' 129' ' ' THR . 60.6 mmm -102.62 153.09 20.44 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 117.074 0.437 . . . . 0.0 110.054 179.118 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.04 164.28 23.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.761 0.315 . . . . 0.0 111.204 -179.396 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -65.38 -26.34 67.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.381 -179.357 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -80.38 -24.47 39.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.199 179.713 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -72.32 -41.22 66.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.625 -179.23 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' ALA . . . . . 0.425 ' CB ' ' HA ' ' A' ' 125' ' ' ALA . . . -59.32 -55.56 33.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.967 0.413 . . . . 0.0 110.923 -179.762 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -49.32 -41.92 40.01 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.52 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.34 -48.76 54.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.99 -179.3 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 141' ' ' ALA . . . . . 0.717 ' O ' HG23 ' A' ' 145' ' ' VAL . . . -63.5 -36.64 84.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.887 0.375 . . . . 0.0 111.733 -179.031 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 73.9 t80 -54.75 -60.16 3.73 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.01 179.59 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -55.07 -35.73 64.85 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.908 -0.587 . . . . 0.0 112.152 -178.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.75 -30.64 70.91 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 111.811 0.3 . . . . 0.0 111.811 -179.266 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 0.75 HG13 ' HB2' ' A' ' 161' ' ' ALA . 19.7 t -83.82 -35.45 11.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 -178.333 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -61.5 78.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.125 0.488 . . . . 0.0 111.493 -179.078 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 147' ' ' THR . . . . . 0.444 ' N ' ' O ' ' A' ' 145' ' ' VAL . 65.0 m -56.08 -33.32 64.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.53 -0.759 . . . . 0.0 112.524 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -99.05 7.51 45.86 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.467 0.543 . . . . 0.0 112.467 -178.462 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 41.38 41.2 2.94 Favored Glycine 0 C--N 1.335 0.481 0 C-N-CA 120.919 -0.657 . . . . 0.0 113.027 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 42.8 p30 -98.41 -7.61 28.38 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 111.799 0.296 . . . . 0.0 111.799 -179.376 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 90.43 2.78 72.85 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.485 -0.864 . . . . 0.0 113.62 179.126 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -132.95 134.48 44.57 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 117.548 0.674 . . . . 0.0 110.824 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 0.472 ' HA ' HD23 ' A' ' 153' ' ' LEU . 12.7 mt -101.97 104.33 15.01 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.553 179.588 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.26 162.09 15.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.387 -179.536 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 155' ' ' LEU . . . . . 0.724 ' CD2' HG21 ' A' ' 108' ' ' VAL . 0.3 OUTLIER -41.63 -40.72 2.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.552 -179.821 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.4 -60.85 3.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.07 0.462 . . . . 0.0 111.049 179.723 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -64.46 -14.09 55.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.89 -0.596 . . . . 0.0 112.253 -179.145 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 158' ' ' LEU . . . . . 0.805 ' O ' HG23 ' A' ' 162' ' ' VAL . 10.1 mt -71.29 -60.1 2.41 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.943 0.401 . . . . 0.0 110.957 179.738 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.811 HD22 HG21 ' A' ' 104' ' ' VAL . 0.5 OUTLIER -56.16 -40.19 73.49 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.005 -179.701 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 90.3 m -51.8 -57.19 10.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.868 0.366 . . . . 0.0 110.378 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 161' ' ' ALA . . . . . 0.75 ' HB2' HG13 ' A' ' 145' ' ' VAL . . . -62.74 -41.12 99.04 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.698 179.219 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 162' ' ' VAL . . . . . 0.805 HG23 ' O ' ' A' ' 158' ' ' LEU . 84.8 t -51.29 -73.6 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.956 179.809 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 163' ' ' ARG . . . . . 0.529 ' HG3' HD12 ' A' ' 88' ' ' ILE . 0.0 OUTLIER -78.88 90.7 4.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.862 179.879 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 164' ' ' ASP . . . . . 0.43 ' O ' HD21 ' A' ' 170' ' ' LEU . 0.4 OUTLIER -171.12 34.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.071 -179.942 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 51.0 p90 -99.94 -8.82 23.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.474 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -47.31 -71.73 0.07 Allowed 'General case' 0 C--O 1.232 0.135 0 CA-C-O 120.831 0.348 . . . . 0.0 110.952 179.778 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 167' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -104.8 121.91 44.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.909 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . 50.19 82.29 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.472 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 169' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -48.17 137.08 11.11 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.803 0.335 . . . . 0.0 111.236 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 170' ' ' LEU . . . . . 0.43 HD21 ' O ' ' A' ' 164' ' ' ASP . 0.1 OUTLIER -115.96 -52.09 2.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.654 179.848 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 171' ' ' ASP . . . . . 0.517 ' C ' HG23 ' A' ' 172' ' ' VAL . 27.2 t0 -104.69 -24.57 12.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.804 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 172' ' ' VAL . . . . . 0.517 HG23 ' C ' ' A' ' 171' ' ' ASP . 5.6 t 81.93 23.92 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.194 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.463 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 173' ' ' GLU . . . . . 0.41 ' HA ' ' O ' ' A' ' 162' ' ' VAL . 0.1 OUTLIER 49.83 -163.08 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.402 179.81 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 84.9 mt -61.79 -60.41 3.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.321 -179.614 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 175' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -50.73 145.91 6.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.813 0.339 . . . . 0.0 110.861 -179.829 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.107 0 CA-C-O 118.37 -1.239 . . . . 0.0 112.417 -179.93 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 500' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 501' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 502' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 62.5 p . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.802 0.334 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.1 t -68.93 173.36 5.45 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.015 0.436 . . . . 0.0 110.95 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -164.17 -79.85 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.545 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 42.1 mt -82.94 -21.36 9.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.453 179.459 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.437 ' HA ' ' NE ' ' A' ' 8' ' ' ARG . . . -61.85 -40.47 95.46 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.203 -0.453 . . . . 0.0 112.211 -179.083 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.69 -49.34 77.89 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.984 0.421 . . . . 0.0 111.149 -179.674 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -51.97 -54.28 31.55 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.94 -179.372 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.437 ' NE ' ' HA ' ' A' ' 5' ' ' ALA . 0.4 OUTLIER -63.06 -43.73 97.78 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.23 0.456 . . . . 0.0 112.23 -178.606 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.552 HD13 HG23 ' A' ' 81' ' ' ILE . 85.4 mt -76.35 -36.6 58.13 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 -178.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.99 -55.61 32.67 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.785 0.326 . . . . 0.0 111.056 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.409 ' O ' ' N ' ' A' ' 15' ' ' ARG . 32.2 mtmt -57.69 -45.41 85.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.136 -179.715 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -48.11 -31.02 5.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.482 -179.774 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -73.31 -60.86 2.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.969 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -68.36 -17.84 64.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.84 179.676 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.409 ' N ' ' O ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -73.41 -16.64 61.32 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.665 0.269 . . . . 0.0 111.113 179.915 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 41.9 m0 -103.16 -98.38 0.3 Allowed 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 116.68 -0.236 . . . . 0.0 110.992 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 40.84 78.23 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 120.813 0.34 . . . . 0.0 111.879 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.43 ' CE2' ' HB3' ' A' ' 31' ' ' LYS . 0.2 OUTLIER -55.93 -50.35 70.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.825 -179.106 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.402 ' OD1' ' N ' ' A' ' 19' ' ' ASP . 11.9 p-10 -96.2 -13.99 23.06 Favored 'General case' 0 CA--C 1.53 0.208 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 -179.221 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 78.95 42.53 12.37 Favored Glycine 0 CA--C 1.518 0.27 0 C-N-CA 120.449 -0.881 . . . . 0.0 112.678 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 39.1 p-10 -93.82 -8.18 41.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.859 0.33 . . . . 0.0 111.664 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 81.42 22.15 60.96 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.461 -0.876 . . . . 0.0 112.14 -179.565 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.646 ' HB1' ' HB3' ' A' ' 74' ' ' SER . . . -156.2 171.82 19.53 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.6 0.238 . . . . 0.0 110.496 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.799 ' HB3' HD12 ' A' ' 75' ' ' LEU . 0.9 OUTLIER -110.89 121.07 44.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.783 0.325 . . . . 0.0 110.512 179.615 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -120.42 172.87 7.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 7.0 ptt-85 -70.53 -35.36 73.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.843 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.72 -21.55 64.6 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.134 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -69.11 -29.98 68.17 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.894 0.378 . . . . 0.0 109.984 179.576 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.408 ' HB3' ' CG ' ' A' ' 56' ' ' PHE . 20.7 m-85 -76.94 -35.32 57.36 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.346 179.48 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -65.75 -42.53 90.82 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.573 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.43 ' HB3' ' CE2' ' A' ' 18' ' ' PHE . 15.8 mmtt -66.22 -44.46 83.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.824 0.345 . . . . 0.0 110.283 179.614 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.41 ' HA ' ' CZ ' ' A' ' 18' ' ' PHE . 3.7 tp10 -49.13 -64.02 0.93 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.416 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.433 ' HB3' ' HG3' ' A' ' 53' ' ' LYS . . . -44.19 -46.67 8.99 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.01 0.433 . . . . 0.0 111.048 179.404 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.09 -54.13 42.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.36 179.34 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 37.8 t-80 -52.22 -36.01 50.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.58 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 57.4 mt -72.61 -53.16 19.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.667 179.56 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -44.69 -44.18 8.92 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.046 179.616 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 -59.56 -40.69 88.11 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.526 179.35 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.3 -26.31 66.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.567 179.491 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -92.14 0.92 57.47 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.421 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 66.58 17.54 66.9 Favored Glycine 0 C--N 1.333 0.386 0 C-N-CA 120.512 -0.852 . . . . 0.0 112.488 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.7 mmmp? -92.61 157.51 16.46 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.907 0.384 . . . . 0.0 111.207 -179.686 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -72.78 127.24 31.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.516 179.546 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.588 ' O ' HG11 ' A' ' 49' ' ' VAL . . . -68.84 -14.18 62.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.467 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -103.7 12.64 53.69 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.356 -0.926 . . . . 0.0 113.73 -178.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.15 -164.01 0.05 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 117.282 0.541 . . . . 0.0 110.846 179.272 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -92.48 -46.36 7.68 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.239 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.0 -25.15 66.68 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.868 -179.151 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.588 HG11 ' O ' ' A' ' 44' ' ' ALA . 11.0 p -76.22 -44.43 36.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 120.868 0.366 . . . . 0.0 110.494 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.497 ' N ' HG13 ' A' ' 49' ' ' VAL . 1.8 tt0 -60.67 -41.6 95.4 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 179.011 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 59.1 m -59.95 -54.83 41.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.061 178.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 58.5 tp -51.27 -61.08 2.45 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.159 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.433 ' HG3' ' HB3' ' A' ' 33' ' ' ALA . 5.4 mtpm? -51.38 -39.44 57.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.739 0.304 . . . . 0.0 110.443 179.172 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -58.5 -41.67 85.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.636 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.43 -50.41 52.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.985 0.422 . . . . 0.0 110.741 179.422 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.408 ' CG ' ' HB3' ' A' ' 29' ' ' PHE . 0.1 OUTLIER -53.04 -28.54 24.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.682 179.786 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -63.04 -52.23 49.41 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.485 -0.864 . . . . 0.0 112.327 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -60.83 -26.37 65.13 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.571 -0.823 . . . . 0.0 112.574 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.725 HD23 HG21 ' A' ' 103' ' ' VAL . 1.0 OUTLIER -56.01 -43.8 78.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.735 0.303 . . . . 0.0 110.593 -179.819 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.415 ' CE1' ' HB2' ' A' ' 64' ' ' ALA . 56.6 t80 -59.28 -40.98 87.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.159 179.575 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -43.94 -48.69 8.59 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.902 0.382 . . . . 0.0 110.858 179.617 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 55.9 t80 -59.65 -39.73 85.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.465 179.369 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 14.6 mt -65.06 -55.32 19.54 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.644 179.688 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.548 ' HB1' ' O ' ' A' ' 69' ' ' VAL . . . -55.38 -48.49 74.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.59 179.505 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 4.6 mtmt -64.25 -51.54 63.1 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.88 0.371 . . . . 0.0 110.602 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -61.57 -41.5 97.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.797 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -75.31 -26.06 58.37 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.069 0.461 . . . . 0.0 111.385 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 102.65 1.57 49.74 Favored Glycine 0 CA--C 1.519 0.314 0 C-N-CA 120.803 -0.713 . . . . 0.0 113.921 178.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.548 ' O ' ' HB1' ' A' ' 64' ' ' ALA . 33.7 m -103.46 175.6 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 117.13 0.465 . . . . 0.0 110.576 179.697 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -84.61 175.6 50.79 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.916 -0.659 . . . . 0.0 114.086 -178.265 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.91 -15.66 59.59 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 115.099 -0.55 . . . . 0.0 110.915 178.198 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -111.57 13.0 21.31 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 122.573 0.349 . . . . 0.0 111.678 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -93.05 -164.42 37.64 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.437 -0.887 . . . . 0.0 112.703 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.646 ' HB3' ' HB1' ' A' ' 23' ' ' ALA . 58.2 m -141.61 153.74 44.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.926 0.394 . . . . 0.0 111.224 -179.173 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.799 HD12 ' HB3' ' A' ' 24' ' ' LEU . 0.1 OUTLIER -115.86 141.19 48.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.45 179.664 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 7.8 p -85.58 178.67 7.31 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.828 0.347 . . . . 0.0 111.082 -179.683 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -71.45 -49.42 41.67 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.526 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -57.53 -31.69 66.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.077 179.37 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.482 ' O ' HG22 ' A' ' 83' ' ' VAL . 6.8 mt-30 -73.79 -41.37 62.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.03 178.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -53.11 -51.53 61.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.355 178.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.552 HG23 HD13 ' A' ' 9' ' ' LEU . 59.9 mt -55.91 -52.07 53.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.484 -179.818 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.77 -52.0 67.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.785 -179.612 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.482 HG22 ' O ' ' A' ' 79' ' ' GLN . 18.5 m -72.02 -42.26 68.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 N-CA-C 112.022 0.379 . . . . 0.0 112.022 -179.332 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.453 ' N ' HG23 ' A' ' 83' ' ' VAL . 83.2 m -61.16 -46.75 89.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.022 0.439 . . . . 0.0 110.374 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -50.88 -47.93 60.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.85 -0.613 . . . . 0.0 111.411 -179.819 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.404 ' OD1' ' HB3' ' A' ' 90' ' ' GLU . 0.6 OUTLIER -59.04 -37.69 77.6 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.425 -179.733 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.8 mt -60.45 -47.97 83.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.389 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 28.0 mm -71.0 -45.07 74.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.509 -179.39 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 -89.2 -78.29 0.36 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.72 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.404 ' HB3' ' OD1' ' A' ' 86' ' ' ASN . 0.0 OUTLIER -62.58 -158.53 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.701 179.856 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 66.42 142.79 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.935 0.397 . . . . 0.0 110.677 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -76.17 155.85 46.39 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.959 -0.638 . . . . 0.0 113.185 -179.455 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -55.15 -52.93 61.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.164 0.506 . . . . 0.0 110.434 179.776 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.63 -11.96 20.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.541 -0.754 . . . . 0.0 112.164 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.4 t -74.86 -42.99 56.85 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.728 0.299 . . . . 0.0 110.897 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.771 ' CE1' HD22 ' A' ' 100' ' ' LEU . 0.2 OUTLIER -68.72 -43.05 76.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.071 179.896 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 20.8 m-20 -66.36 -37.04 84.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.653 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.411 ' O ' ' HD3' ' A' ' 102' ' ' PRO . 7.8 ttm180 -63.66 -64.66 0.84 Allowed 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.305 0.483 . . . . 0.0 112.305 -179.033 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.679 HG12 HD22 ' A' ' 59' ' ' LEU . 38.2 t -70.55 -35.75 62.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 112.917 0.71 . . . . 0.0 112.917 -177.889 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.771 HD22 ' CE1' ' A' ' 96' ' ' PHE . 5.1 tp -87.95 -28.12 21.68 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 119.893 -0.723 . . . . 0.0 111.65 -178.149 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -44.95 -56.84 5.7 Favored Glycine 0 CA--C 1.519 0.322 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.45 179.565 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.411 ' HD3' ' O ' ' A' ' 98' ' ' ARG . 23.5 Cg_exo -62.77 -20.15 70.37 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.721 2.28 . . . . 0.0 111.845 179.425 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.725 HG21 HD23 ' A' ' 59' ' ' LEU . 6.3 t -78.37 -51.69 17.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.046 -179.545 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.818 ' CG1' HD13 ' A' ' 158' ' ' LEU . 8.5 t -68.2 -32.83 57.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 120.981 0.42 . . . . 0.0 110.929 179.606 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -56.64 -53.39 58.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.692 179.467 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -47.26 -36.13 10.05 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.746 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.427 ' O ' ' HG3' ' A' ' 110' ' ' MET . 23.9 mt -74.44 -39.0 47.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.802 0.334 . . . . 0.0 111.226 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.72 HG13 HD11 ' A' ' 119' ' ' ILE . 35.1 t -60.81 -37.18 75.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.742 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -57.89 -42.13 94.55 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.429 179.712 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' MET . . . . . 0.427 ' HG3' ' O ' ' A' ' 107' ' ' ILE . 4.1 ptp -79.66 -26.55 41.01 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.804 0.335 . . . . 0.0 110.505 179.734 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 65.2 m -93.48 45.3 1.16 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.15 0.5 . . . . 0.0 111.309 -178.767 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 34.0 t0 -165.9 107.91 0.75 Allowed 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.585 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -93.55 -3.03 53.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.149 178.724 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -102.04 -13.26 17.61 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-O 120.596 0.236 . . . . 0.0 110.877 179.528 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . 61.99 56.96 2.2 Favored 'General case' 0 C--N 1.332 -0.155 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 179.15 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 47.4 p30 -112.83 -12.64 13.29 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 121.022 -0.271 . . . . 0.0 111.202 179.173 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 79.73 8.65 87.54 Favored Glycine 0 C--N 1.334 0.431 0 C-N-CA 120.82 -0.705 . . . . 0.0 113.346 179.328 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -121.4 165.19 15.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.032 0.444 . . . . 0.0 111.447 -179.51 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.72 HD11 HG13 ' A' ' 108' ' ' VAL . 41.1 mm -111.54 99.69 9.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.74 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' ASN . . . . . 0.44 ' O ' ' N ' ' A' ' 123' ' ' GLU . 21.1 m-20 -85.72 160.27 19.57 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 179.506 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.495 ' HB2' ' CE2' ' A' ' 142' ' ' PHE . . . -47.97 -36.84 13.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.731 0.3 . . . . 0.0 110.839 -179.188 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -71.14 -28.58 64.38 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.013 179.002 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 120' ' ' ASN . 45.5 mt-10 -81.73 -48.96 10.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.159 179.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -56.7 -51.74 67.62 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.799 0.333 . . . . 0.0 111.083 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.421 ' HA ' ' CB ' ' A' ' 138' ' ' ALA . . . -53.13 -43.36 66.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.673 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -57.38 -34.11 68.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.588 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' TRP . . . . . 0.461 ' O ' ' HB3' ' A' ' 130' ' ' ALA . 13.5 t90 -81.87 -41.74 20.55 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 111.765 0.283 . . . . 0.0 111.765 -178.776 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.466 HD12 ' HA ' ' A' ' 138' ' ' ALA . 50.6 mt -61.0 -42.17 97.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.95 0.405 . . . . 0.0 110.869 -179.725 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 129' ' ' THR . . . . . 0.412 HG22 ' O ' ' A' ' 133' ' ' MET . 40.3 p -71.45 -19.64 62.2 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.311 179.001 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 130' ' ' ALA . . . . . 0.461 ' HB3' ' O ' ' A' ' 127' ' ' TRP . . . -63.78 -36.53 84.2 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.933 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -87.82 -5.49 58.59 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.62 -0.264 . . . . 0.0 111.572 -179.435 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 111.83 33.81 2.15 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.204 -0.998 . . . . 0.0 113.233 179.522 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' MET . . . . . 0.412 ' O ' HG22 ' A' ' 129' ' ' THR . 9.8 mmt -101.75 153.01 20.18 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 179.149 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 52.6 p -82.72 149.74 27.12 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.618 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 1.6 tptt -56.09 -25.34 45.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.929 -179.096 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -75.65 -25.99 57.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.917 0.389 . . . . 0.0 111.027 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -73.34 -33.94 65.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.674 -179.388 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 138' ' ' ALA . . . . . 0.466 ' HA ' HD12 ' A' ' 128' ' ' LEU . . . -60.99 -59.34 5.53 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.037 0.446 . . . . 0.0 110.742 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -47.57 -43.49 25.43 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.24 179.551 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.42 -51.2 31.2 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.751 -179.382 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 141' ' ' ALA . . . . . 0.59 ' O ' HG23 ' A' ' 145' ' ' VAL . . . -63.07 -36.04 82.25 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.115 0.483 . . . . 0.0 111.188 -179.187 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 142' ' ' PHE . . . . . 0.495 ' CE2' ' HB2' ' A' ' 121' ' ' ALA . 71.9 t80 -54.42 -59.96 3.99 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.02 179.446 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 40.0 t30 -56.83 -34.31 67.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.477 -0.783 . . . . 0.0 112.912 -178.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 144' ' ' GLN . . . . . 0.582 ' OE1' HG13 ' A' ' 172' ' ' VAL . 0.1 OUTLIER -67.3 -33.28 74.96 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 112.25 0.463 . . . . 0.0 112.25 -178.702 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 0.875 HG13 ' HB2' ' A' ' 161' ' ' ALA . 13.3 t -84.76 -33.07 7.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 N-CA-C 112.626 0.602 . . . . 0.0 112.626 -178.153 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.15 78.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.026 0.441 . . . . 0.0 111.368 -179.36 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 147' ' ' THR . . . . . 0.436 ' N ' ' O ' ' A' ' 145' ' ' VAL . 0.2 OUTLIER -56.56 -34.7 67.37 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.629 -0.714 . . . . 0.0 112.56 179.468 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 148' ' ' ASN . . . . . 0.417 ' ND2' ' OE2' ' A' ' 157' ' ' GLU . 30.5 p30 -94.5 7.43 45.61 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 -178.36 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 40.95 38.57 1.71 Allowed Glycine 0 C--N 1.336 0.535 0 C-N-CA 121.096 -0.573 . . . . 0.0 112.969 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 30.2 p-10 -94.99 -7.37 39.98 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 111.644 0.239 . . . . 0.0 111.644 -179.466 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 87.75 6.83 75.89 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.452 -0.88 . . . . 0.0 113.431 179.167 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -135.06 135.19 41.08 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 117.507 0.654 . . . . 0.0 111.149 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 0.552 HD21 ' CG1' ' A' ' 145' ' ' VAL . 6.9 mt -100.62 101.56 12.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.12 178.708 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 12.6 p -87.57 169.96 11.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.157 0.503 . . . . 0.0 111.977 -178.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 155' ' ' LEU . . . . . 0.556 ' CD2' HG21 ' A' ' 108' ' ' VAL . 58.5 mt -48.61 -46.47 39.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.161 -179.775 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.78 -61.01 2.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.298 -179.716 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 157' ' ' GLU . . . . . 0.417 ' OE2' ' ND2' ' A' ' 148' ' ' ASN . 17.9 mt-10 -65.41 -14.91 61.94 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.948 -0.569 . . . . 0.0 112.362 -179.014 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 158' ' ' LEU . . . . . 0.818 HD13 ' CG1' ' A' ' 104' ' ' VAL . 0.4 OUTLIER -70.17 -66.88 0.54 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.941 0.4 . . . . 0.0 110.485 179.596 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.447 ' CB ' HD23 ' A' ' 100' ' ' LEU . 2.3 pp -50.24 -31.21 13.44 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.015 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 21.0 m -56.62 -61.62 2.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.009 0.433 . . . . 0.0 110.678 179.652 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 161' ' ' ALA . . . . . 0.875 ' HB2' HG13 ' A' ' 145' ' ' VAL . . . -61.2 -32.72 72.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.005 179.716 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 162' ' ' VAL . . . . . 0.796 HG13 HD13 ' A' ' 174' ' ' LEU . 74.8 t -51.19 -61.15 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.357 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -108.36 66.19 0.64 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.113 0.482 . . . . 0.0 110.704 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -115.29 -29.44 6.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.053 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 29.3 p90 -48.68 123.8 7.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.054 0.454 . . . . 0.0 111.641 -179.497 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 172.29 154.01 0.08 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.378 179.474 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 167' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 59.63 -84.68 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.528 179.754 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 168' ' ' GLY . . . . . 0.421 ' O ' ' HG2' ' A' ' 169' ' ' ARG . . . -105.44 -26.37 6.24 Favored Glycine 0 C--N 1.331 0.278 0 C-N-CA 120.645 -0.788 . . . . 0.0 113.053 -179.491 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 169' ' ' ARG . . . . . 0.421 ' HG2' ' O ' ' A' ' 168' ' ' GLY . 8.3 ptm180 46.55 -164.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.707 0.289 . . . . 0.0 111.097 -179.705 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 170' ' ' LEU . . . . . 0.417 ' CD1' ' NE2' ' A' ' 144' ' ' GLN . 0.0 OUTLIER -165.82 -82.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.991 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -169.81 49.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.468 -179.566 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 172' ' ' VAL . . . . . 0.582 HG13 ' OE1' ' A' ' 144' ' ' GLN . 0.0 OUTLIER -109.31 -89.53 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.311 179.692 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 173' ' ' GLU . . . . . 0.422 ' H ' HG23 ' A' ' 172' ' ' VAL . 1.4 tt0 62.04 -174.96 0.14 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.001 0.429 . . . . 0.0 111.543 179.703 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 174' ' ' LEU . . . . . 0.796 HD13 HG13 ' A' ' 162' ' ' VAL . 29.0 tp -110.35 -33.74 6.54 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.017 -179.801 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 175' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -89.21 16.45 7.29 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.561 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.44 -1.2 . . . . 0.0 112.557 179.994 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 500' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 501' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 502' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 3.1 m . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 120.759 0.314 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 28.2 m -123.04 -65.09 1.12 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.142 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -50.59 170.94 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.114 -179.636 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 15.7 mm -79.4 -34.24 15.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.457 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.433 ' HB2' ' HA ' ' A' ' 167' ' ' PHE . . . -62.12 -29.66 70.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.804 -179.429 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.7 m -61.3 -43.29 99.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.839 0.352 . . . . 0.0 111.224 -179.724 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.31 -45.86 89.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.555 -179.403 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.14 -43.62 98.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.475 -179.033 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 46.0 mt -77.41 -36.58 53.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.666 0.27 . . . . 0.0 111.452 -179.15 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.74 -57.46 12.92 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.786 0.326 . . . . 0.0 110.878 -179.797 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.413 ' O ' ' N ' ' A' ' 15' ' ' ARG . 5.8 mttt -56.25 -45.44 80.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.91 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.415 ' NH2' ' CZ2' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -47.63 -30.39 3.65 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.916 0.389 . . . . 0.0 111.011 179.896 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -74.11 -58.98 2.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.646 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -69.38 -14.38 62.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.155 179.571 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.413 ' N ' ' O ' ' A' ' 11' ' ' LYS . 0.2 OUTLIER -73.03 -21.94 60.72 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.601 0.239 . . . . 0.0 111.138 -179.626 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.415 ' CZ2' ' NH2' ' A' ' 12' ' ' ARG . 6.4 m0 -99.0 -93.84 0.25 Allowed 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 116.631 -0.258 . . . . 0.0 111.108 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 40.33 73.35 0.12 Allowed 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 121.013 0.435 . . . . 0.0 111.667 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.414 ' CE2' ' HB3' ' A' ' 31' ' ' LYS . 30.4 m-85 -54.24 -51.23 65.17 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.578 -179.309 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 25.8 p-10 -99.13 -13.25 19.87 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 -179.417 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.87 47.57 9.47 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.41 -0.9 . . . . 0.0 112.247 -179.539 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 41.6 p-10 -93.18 -9.63 38.62 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 111.785 0.291 . . . . 0.0 111.785 -179.612 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 80.0 21.07 66.33 Favored Glycine 0 C--N 1.331 0.303 0 C-N-CA 120.551 -0.833 . . . . 0.0 112.391 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -155.67 176.4 12.67 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 110.184 -0.302 . . . . 0.0 110.184 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -115.01 122.16 45.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.726 0.298 . . . . 0.0 110.532 179.683 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -121.48 172.48 8.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.004 0.43 . . . . 0.0 110.884 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.08 -34.25 76.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.878 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.1 -20.71 66.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.105 179.535 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -71.31 -32.9 69.17 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.908 0.385 . . . . 0.0 110.058 179.421 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 -77.15 -37.1 54.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.799 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -64.16 -40.04 95.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.458 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.414 ' HB3' ' CE2' ' A' ' 18' ' ' PHE . 12.5 mttt -66.53 -38.95 88.26 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.898 0.38 . . . . 0.0 110.11 179.481 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.421 ' O ' HG12 ' A' ' 36' ' ' ILE . 3.7 tp10 -49.86 -65.03 0.63 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.482 179.726 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -45.23 -47.7 12.7 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.013 0.435 . . . . 0.0 110.786 179.585 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -61.74 -54.64 39.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.056 179.193 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 37.9 t-80 -54.39 -41.79 69.66 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.436 179.633 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.421 HG12 ' O ' ' A' ' 32' ' ' GLU . 17.7 mm -66.08 -56.75 13.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 179.697 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.535 ' HB2' HG13 ' A' ' 49' ' ' VAL . . . -42.21 -42.27 2.98 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.905 0.383 . . . . 0.0 111.359 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -59.52 -38.78 81.86 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.111 179.536 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.14 -27.32 66.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.068 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -90.48 2.16 55.97 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.325 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 59.1 15.88 31.1 Favored Glycine 0 C--N 1.333 0.398 0 C-N-CA 120.865 -0.683 . . . . 0.0 113.118 179.41 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.86 92.99 6.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.855 0.359 . . . . 0.0 110.916 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.546 ' CB ' ' HB2' ' A' ' 46' ' ' ALA . 0.7 OUTLIER 38.64 -158.53 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.94 179.479 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -139.67 -57.44 0.57 Allowed 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 107.733 -1.21 . . . . 0.0 107.733 177.74 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -96.47 27.79 15.92 Favored Glycine 0 N--CA 1.451 -0.322 0 CA-C-N 114.628 -1.169 . . . . 0.0 111.829 178.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.546 ' HB2' ' CB ' ' A' ' 43' ' ' ASP . . . -69.89 -169.3 0.25 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.876 0.369 . . . . 0.0 111.244 179.747 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -80.83 -53.32 6.58 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.402 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -59.59 -27.43 66.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.833 -178.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.535 HG13 ' HB2' ' A' ' 37' ' ' ALA . 4.0 t -76.41 -43.27 36.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 179.555 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 33.8 tp60 -61.12 -42.2 98.1 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 178.388 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 54.1 m -59.82 -56.8 17.27 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.474 179.15 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.407 HD13 ' C ' ' A' ' 106' ' ' GLY . 40.1 tp -52.29 -58.44 6.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.322 -179.567 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -51.42 -39.97 58.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.752 0.31 . . . . 0.0 110.482 179.448 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 15.2 t30 -59.23 -41.33 88.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.829 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.89 -41.5 82.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.761 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -57.5 -29.8 64.59 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.764 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -65.97 -49.41 58.68 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.935 -0.65 . . . . 0.0 112.756 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.411 ' O ' ' HB2' ' A' ' 61' ' ' ASP . . . -58.76 -33.48 73.11 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.855 -179.705 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 27.1 tp -54.97 -36.24 65.15 Favored 'General case' 0 C--N 1.328 -0.368 0 O-C-N 122.669 -0.312 . . . . 0.0 110.85 -179.414 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.77 ' HA ' HD12 ' A' ' 63' ' ' LEU . 18.2 t80 -63.37 -43.56 97.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.986 179.769 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.411 ' HB2' ' O ' ' A' ' 58' ' ' GLY . 1.3 m-20 -43.55 -49.16 7.51 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.415 -179.763 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -57.22 -35.16 69.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.037 0.446 . . . . 0.0 110.569 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.77 HD12 ' HA ' ' A' ' 60' ' ' PHE . 27.5 mt -66.29 -54.86 19.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.033 179.755 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.417 ' O ' ' N ' ' A' ' 68' ' ' GLY . . . -56.05 -42.9 77.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.936 0.398 . . . . 0.0 111.142 -179.738 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.64 -57.95 6.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.267 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.83 -41.58 97.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.768 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -77.49 -25.65 50.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.984 0.421 . . . . 0.0 111.118 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 64' ' ' ALA . . . 80.19 53.77 4.05 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.873 -0.679 . . . . 0.0 113.634 178.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.449 ' CG1' ' HA3' ' A' ' 73' ' ' GLY . 92.4 t -111.38 -88.08 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.67 0.235 . . . . 0.0 111.268 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.551 ' O ' ' CB ' ' A' ' 71' ' ' SER . . . 177.04 -20.95 0.05 OUTLIER Glycine 0 CA--C 1.525 0.693 0 C-N-CA 119.681 -1.247 . . . . 0.0 114.607 -179.761 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.551 ' CB ' ' O ' ' A' ' 70' ' ' GLY . 21.7 m 110.57 -27.75 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 124.197 0.999 . . . . 0.0 109.915 -178.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -110.62 5.87 21.35 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.315 179.807 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.449 ' HA3' ' CG1' ' A' ' 69' ' ' VAL . . . -95.03 -156.02 31.78 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.225 -0.988 . . . . 0.0 112.599 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -143.26 155.75 44.57 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.041 0.448 . . . . 0.0 111.635 -179.229 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -115.31 136.92 52.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.251 179.422 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 2.2 p -84.33 171.88 12.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.996 -179.582 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -62.18 -49.07 77.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.74 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -58.21 -31.33 67.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.243 179.39 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -73.2 -42.04 63.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.279 179.135 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.459 ' CD1' ' OG1' ' A' ' 84' ' ' THR . 36.0 t80 -51.8 -56.08 16.05 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.782 179.364 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 37.4 mt -54.86 -49.33 70.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.583 -179.612 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 5.3 mtm-85 -58.78 -54.98 40.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.656 -179.694 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 50.8 t -71.33 -40.55 73.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 -179.18 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.459 ' OG1' ' CD1' ' A' ' 80' ' ' PHE . 68.7 m -60.2 -43.79 95.65 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.934 0.397 . . . . 0.0 110.007 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -47.27 -52.97 14.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.291 179.644 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -60.02 -36.42 77.22 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.441 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.87 -46.3 81.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.491 179.754 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.493 HG21 ' NE2' ' A' ' 166' ' ' HIS . 10.5 mt -74.54 -39.66 47.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.812 179.625 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -91.37 -82.37 0.3 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.229 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.35 -167.5 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.285 -179.603 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.466 ' HB3' ' CB ' ' A' ' 95' ' ' SER . 3.1 mt-30 75.25 -74.35 0.08 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.817 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 123.14 172.72 13.9 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.223 -0.989 . . . . 0.0 113.355 179.438 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -57.31 -57.79 11.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.035 0.445 . . . . 0.0 111.265 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -59.41 -14.62 12.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.742 -0.663 . . . . 0.0 112.577 -179.113 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.466 ' CB ' ' HB3' ' A' ' 91' ' ' GLN . 0.2 OUTLIER -77.5 -44.47 28.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.724 0.297 . . . . 0.0 111.013 -179.73 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.655 ' CE2' HD22 ' A' ' 100' ' ' LEU . 0.6 OUTLIER -70.8 -40.01 72.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.963 179.849 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.407 ' O ' ' N ' ' A' ' 101' ' ' GLY . 0.7 OUTLIER -68.6 -36.98 79.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.069 -0.514 . . . . 0.0 112.015 -179.37 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 3.4 ttp85 -64.54 -66.64 0.52 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.805 0.336 . . . . 0.0 111.73 -179.05 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 4.0 p -65.26 -39.38 85.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.155 -0.475 . . . . 0.0 112.274 -178.208 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.657 HD12 HG21 ' A' ' 103' ' ' VAL . 8.4 tp -88.48 -24.21 23.03 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 120.203 -0.599 . . . . 0.0 112.12 -177.844 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.487 ' N ' ' HD2' ' A' ' 102' ' ' PRO . . . -40.4 -53.46 3.47 Favored Glycine 0 CA--C 1.523 0.558 0 C-N-CA 120.902 -0.666 . . . . 0.0 112.947 179.502 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.487 ' HD2' ' N ' ' A' ' 101' ' ' GLY . 58.5 Cg_endo -71.43 -9.31 24.99 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.619 2.212 . . . . 0.0 112.478 179.458 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.657 HG21 HD12 ' A' ' 100' ' ' LEU . 86.1 t -80.98 -53.81 11.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.882 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.565 ' O ' HG23 ' A' ' 108' ' ' VAL . 45.5 t -69.01 -33.38 58.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.116 0.484 . . . . 0.0 110.612 179.632 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 17.3 mttt -58.76 -46.75 86.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.425 178.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' GLY . . . . . 0.407 ' C ' HD13 ' A' ' 52' ' ' LEU . . . -52.7 -36.96 50.32 Favored Glycine 0 N--CA 1.451 -0.301 0 CA-C-N 115.756 -0.656 . . . . 0.0 112.558 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.643 HG21 ' CZ2' ' A' ' 127' ' ' TRP . 26.3 mm -73.69 -40.49 54.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.909 0.385 . . . . 0.0 110.793 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.692 HG22 HD11 ' A' ' 119' ' ' ILE . 43.6 t -64.08 -36.59 77.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.298 179.717 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -60.93 -40.71 98.77 Favored Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.869 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 5.1 ptp -78.67 -23.99 45.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.616 0.245 . . . . 0.0 111.307 -179.307 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 26.1 t -98.99 -21.74 16.09 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 113.157 0.799 . . . . 0.0 113.157 -178.071 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -63.52 104.53 0.65 Allowed 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.377 -0.529 . . . . 0.0 111.395 -178.417 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.79 -20.44 27.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.745 -0.662 . . . . 0.0 110.816 179.107 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 21.1 p-10 -108.65 7.84 26.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.496 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . 42.03 57.32 3.26 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.68 0.276 . . . . 0.0 111.509 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 24.4 p-10 -116.31 -11.06 11.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.721 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 77.85 11.43 85.42 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.906 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -123.51 166.27 15.7 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.941 0.401 . . . . 0.0 111.289 -179.627 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.736 HG13 HD11 ' A' ' 158' ' ' LEU . 47.7 mm -109.44 100.31 10.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.331 -179.337 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' ASN . . . . . 0.423 ' O ' ' N ' ' A' ' 123' ' ' GLU . 1.0 OUTLIER -85.17 158.79 20.28 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 178.853 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.447 ' HA ' ' CD1' ' A' ' 142' ' ' PHE . . . -48.77 -35.88 15.26 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.83 -0.348 . . . . 0.0 111.1 -179.075 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.5 -29.14 65.58 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 178.734 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.423 ' N ' ' O ' ' A' ' 120' ' ' ASN . 25.9 mt-10 -79.61 -48.98 12.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.31 -0.404 . . . . 0.0 109.994 178.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 124' ' ' PHE . . . . . 0.611 ' CE2' HD11 ' A' ' 128' ' ' LEU . 20.7 t80 -57.14 -50.89 71.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.352 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.432 ' HA ' ' HB1' ' A' ' 138' ' ' ALA . . . -53.67 -45.93 70.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.16 -179.459 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -55.2 -33.75 63.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.615 -179.703 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' TRP . . . . . 0.643 ' CZ2' HG21 ' A' ' 107' ' ' ILE . 8.2 t90 -83.83 -45.01 13.74 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 112.356 0.502 . . . . 0.0 112.356 -178.568 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.611 HD11 ' CE2' ' A' ' 124' ' ' PHE . 12.1 mt -59.08 -41.36 87.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.791 0.329 . . . . 0.0 111.062 -179.205 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -71.36 -26.54 62.85 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.239 178.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.96 -36.54 83.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.762 -0.653 . . . . 0.0 111.177 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 11.6 mt -84.85 3.45 37.82 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.364 0.505 . . . . 0.0 112.364 -178.362 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 104.72 24.31 7.42 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.094 -1.05 . . . . 0.0 113.633 178.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' MET . . . . . 0.419 ' CG ' ' O ' ' A' ' 128' ' ' LEU . 3.2 mmt -99.48 155.13 17.72 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 117.04 0.42 . . . . 0.0 110.165 179.339 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -82.78 163.7 21.08 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.754 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -66.76 -22.15 66.05 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.723 -179.322 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -80.29 -26.72 38.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.427 -0.352 . . . . 0.0 111.142 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -73.54 -38.63 65.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.345 -179.584 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 138' ' ' ALA . . . . . 0.55 ' HA ' HD12 ' A' ' 128' ' ' LEU . . . -60.45 -59.24 5.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.833 0.349 . . . . 0.0 110.959 -179.792 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -47.04 -43.65 20.01 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.172 179.672 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.02 -49.02 55.56 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.653 -179.477 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 141' ' ' ALA . . . . . 0.545 ' O ' HG23 ' A' ' 145' ' ' VAL . . . -62.78 -36.61 83.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.653 -179.139 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 142' ' ' PHE . . . . . 0.447 ' CD1' ' HA ' ' A' ' 121' ' ' ALA . 73.4 t80 -54.75 -59.23 5.01 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.803 179.513 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -57.51 -34.45 69.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.555 -0.748 . . . . 0.0 112.964 -179.19 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -67.61 -32.86 73.87 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 112.196 0.443 . . . . 0.0 112.196 -178.389 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 0.726 HG13 ' HB2' ' A' ' 161' ' ' ALA . 16.5 t -83.39 -29.49 7.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 112.205 0.446 . . . . 0.0 112.205 -178.677 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -62.35 78.16 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.163 0.506 . . . . 0.0 111.274 -179.09 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 147' ' ' THR . . . . . 0.45 ' N ' ' O ' ' A' ' 145' ' ' VAL . 47.3 m -56.13 -33.26 64.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.514 -0.766 . . . . 0.0 112.529 179.746 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 148' ' ' ASN . . . . . 0.42 ' ND2' ' OE2' ' A' ' 157' ' ' GLU . 29.0 p30 -98.2 7.12 46.72 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.498 0.555 . . . . 0.0 112.498 -178.449 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 39.72 38.19 1.05 Allowed Glycine 0 C--N 1.335 0.501 0 C-N-CA 121.067 -0.587 . . . . 0.0 113.511 179.585 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 43.9 p-10 -95.55 -5.15 43.36 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.581 0.229 . . . . 0.0 111.583 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 91.26 1.97 71.48 Favored Glycine 0 C--N 1.333 0.409 0 C-N-CA 120.633 -0.794 . . . . 0.0 113.669 178.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -132.97 135.08 45.29 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 117.517 0.659 . . . . 0.0 111.145 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 21.0 mt -95.86 102.34 14.12 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.024 178.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 50.5 m -86.86 161.12 18.48 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.117 0.484 . . . . 0.0 111.54 -179.024 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 155' ' ' LEU . . . . . 0.411 ' O ' ' HG ' ' A' ' 159' ' ' LEU . 1.5 tt -48.34 -44.09 33.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.235 -179.791 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -55.7 -60.36 3.55 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.537 -179.459 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 157' ' ' GLU . . . . . 0.42 ' OE2' ' ND2' ' A' ' 148' ' ' ASN . 31.9 mt-10 -63.0 -17.39 62.15 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.908 -0.587 . . . . 0.0 112.377 -178.666 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 158' ' ' LEU . . . . . 0.736 HD11 HG13 ' A' ' 119' ' ' ILE . 4.4 mt -71.92 -48.73 43.4 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.758 0.313 . . . . 0.0 110.341 179.208 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.476 ' CD2' HG21 ' A' ' 104' ' ' VAL . 0.9 OUTLIER -65.9 -43.2 88.94 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.048 -179.768 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -52.2 -57.06 10.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.841 -179.758 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 161' ' ' ALA . . . . . 0.726 ' HB2' HG13 ' A' ' 145' ' ' VAL . . . -56.02 -60.87 2.86 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.922 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 162' ' ' VAL . . . . . 0.482 HG12 ' O ' ' A' ' 158' ' ' LEU . 9.7 p -53.34 -39.32 35.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.781 0.324 . . . . 0.0 111.164 179.796 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 163' ' ' ARG . . . . . 0.448 ' HD3' ' CG ' ' A' ' 96' ' ' PHE . 68.6 ttp85 -82.05 56.29 3.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.864 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -179.85 58.06 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.891 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 165' ' ' PHE . . . . . 0.455 ' HA ' ' HB2' ' A' ' 169' ' ' ARG . 17.5 p90 -122.51 -33.34 3.45 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.991 -0.284 . . . . 0.0 111.764 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 166' ' ' HIS . . . . . 0.493 ' NE2' HG21 ' A' ' 88' ' ' ILE . 0.3 OUTLIER -52.97 -179.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.951 -0.3 . . . . 0.0 110.566 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 167' ' ' PHE . . . . . 0.433 ' HA ' ' HB2' ' A' ' 5' ' ' ALA . 11.5 m-85 56.27 20.17 4.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.117 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . 73.76 101.56 0.08 OUTLIER Glycine 0 C--N 1.332 0.346 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.109 -179.708 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 169' ' ' ARG . . . . . 0.5 ' HB3' HD23 ' A' ' 170' ' ' LEU . 3.3 mmp_? -126.48 -87.8 0.58 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.613 0.244 . . . . 0.0 111.404 -179.577 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 170' ' ' LEU . . . . . 0.5 HD23 ' HB3' ' A' ' 169' ' ' ARG . 1.3 pt? -175.74 -156.9 0.05 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.629 -0.26 . . . . 0.0 110.767 -179.684 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -90.8 60.21 4.38 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.863 0.363 . . . . 0.0 111.451 -179.586 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 172' ' ' VAL . . . . . 0.702 HG22 ' N ' ' A' ' 173' ' ' GLU . 0.5 OUTLIER -97.3 -93.88 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.494 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.074 179.271 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 173' ' ' GLU . . . . . 0.702 ' N ' HG22 ' A' ' 172' ' ' VAL . 3.8 pm0 40.31 -159.91 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 179.366 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 174' ' ' LEU . . . . . 0.468 HD23 ' N ' ' A' ' 175' ' ' LEU . 0.6 OUTLIER -157.3 -53.75 0.08 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.805 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 175' ' ' LEU . . . . . 0.468 ' N ' HD23 ' A' ' 174' ' ' LEU . 1.4 mt -58.03 170.79 0.6 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.973 -179.768 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.373 -1.237 . . . . 0.0 112.5 179.979 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 500' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 501' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 502' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 3.4 t . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.804 0.335 . . . . 0.0 111.194 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -163.95 -54.49 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.275 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -71.06 -6.62 40.47 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.103 0.409 . . . . 0.0 112.103 -179.601 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 40.1 mt -78.18 -36.82 21.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 120.823 0.344 . . . . 0.0 111.242 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.46 -28.05 69.0 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.511 -179.477 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.01 -56.25 23.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.834 0.35 . . . . 0.0 110.671 179.792 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.11 -45.43 61.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.062 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.56 -48.16 82.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.344 -179.138 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.562 HD13 HG23 ' A' ' 81' ' ' ILE . 8.9 mt -75.96 -33.26 59.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.783 0.325 . . . . 0.0 111.1 -179.297 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.13 -63.76 1.19 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.734 -179.808 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' A' ' 15' ' ' ARG . 0.8 OUTLIER -50.56 -43.06 56.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.498 179.652 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.23 -34.85 3.0 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.115 179.566 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 14.3 t80 -73.2 -53.96 9.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.565 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -70.92 -15.5 62.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.234 179.492 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.438 ' N ' ' O ' ' A' ' 11' ' ' LYS . 52.9 ttt-85 -75.53 -23.48 56.68 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 111.776 0.287 . . . . 0.0 111.776 -179.323 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.469 ' CH2' ' HG3' ' A' ' 32' ' ' GLU . 10.9 m95 -99.3 -96.53 0.24 Allowed 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 121.204 -0.198 . . . . 0.0 111.216 -179.693 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 41.05 73.08 0.13 Allowed 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.041 0.448 . . . . 0.0 111.432 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.414 ' HB2' ' OD1' ' A' ' 28' ' ' ASP . 0.4 OUTLIER -54.85 -49.08 71.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.585 -178.849 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 33.0 p30 -98.04 -13.15 21.2 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 111.885 0.328 . . . . 0.0 111.885 -179.614 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.54 45.23 14.18 Favored Glycine 0 C--N 1.331 0.267 0 C-N-CA 120.498 -0.858 . . . . 0.0 112.624 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.755 ' ND2' ' HB3' ' A' ' 23' ' ' ALA . 14.6 p-10 -92.79 -8.63 43.12 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 111.814 0.301 . . . . 0.0 111.814 -179.568 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 78.69 20.45 71.15 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.38 -0.915 . . . . 0.0 111.921 -179.335 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.755 ' HB3' ' ND2' ' A' ' 21' ' ' ASN . . . -153.47 168.68 25.31 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.973 -0.381 . . . . 0.0 109.973 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -106.91 116.79 32.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.824 0.345 . . . . 0.0 110.768 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.413 ' HG2' ' HB3' ' A' ' 74' ' ' SER . 8.5 mt-10 -120.01 169.35 10.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.846 -179.703 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.0 ttt180 -69.89 -42.17 73.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.39 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.33 -23.49 15.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.816 179.577 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.414 ' OD1' ' HB2' ' A' ' 18' ' ' PHE . 22.1 m-20 -72.91 -28.81 62.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.192 179.378 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -75.74 -39.64 56.87 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.833 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -62.36 -37.4 85.56 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.154 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 19.1 mttt -68.22 -40.49 82.06 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.891 0.377 . . . . 0.0 110.233 179.147 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.469 ' HG3' ' CH2' ' A' ' 16' ' ' TRP . 75.6 tt0 -52.43 -67.45 0.25 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.237 179.66 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -44.0 -47.28 8.63 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.994 0.426 . . . . 0.0 111.033 179.686 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.419 ' HG2' ' HB1' ' A' ' 44' ' ' ALA . 23.8 mt-30 -62.68 -51.57 66.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.165 179.39 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -56.15 -25.65 47.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.674 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 20.6 mt -82.28 -54.3 9.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.849 179.659 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -44.53 -39.84 5.2 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 120.921 0.391 . . . . 0.0 111.053 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -60.55 -39.16 86.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.435 179.676 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -56.56 -21.77 28.75 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.693 0.282 . . . . 0.0 110.712 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -93.99 0.47 56.03 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.422 179.594 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 50.72 79.1 0.08 OUTLIER Glycine 0 C--N 1.333 0.396 0 C-N-CA 120.874 -0.679 . . . . 0.0 113.037 179.615 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 23.3 mtmt -149.81 -96.12 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 110.414 -0.217 . . . . 0.0 110.414 179.098 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -169.84 125.07 0.81 Allowed 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.907 0.384 . . . . 0.0 111.648 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.59 ' O ' HG11 ' A' ' 49' ' ' VAL . . . -67.6 -6.92 22.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.836 179.741 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -102.24 15.6 56.18 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.501 -0.857 . . . . 0.0 113.326 -179.417 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.71 -166.49 0.15 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.964 0.411 . . . . 0.0 111.003 179.543 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -93.23 -46.65 7.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.327 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -62.5 -21.53 65.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.319 -179.684 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.59 HG11 ' O ' ' A' ' 44' ' ' ALA . 11.2 p -76.1 -47.38 31.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.085 179.454 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.538 ' N ' HG13 ' A' ' 49' ' ' VAL . 18.2 tt0 -60.89 -42.5 98.09 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 178.691 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 18.1 m -58.24 -56.22 24.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.075 179.186 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 18.1 tp -51.57 -59.26 4.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.277 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.6 mtpm? -51.08 -42.5 60.63 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.534 0.207 . . . . 0.0 110.649 179.577 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -57.26 -42.1 80.92 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 179.355 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.82 -41.72 82.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.673 179.224 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -61.35 -30.87 70.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.502 179.603 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -64.86 -50.93 55.8 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.387 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -57.06 -31.16 61.38 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.644 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 9.0 tp -59.1 -40.09 84.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.583 0.23 . . . . 0.0 110.883 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.489 ' HA ' HD12 ' A' ' 63' ' ' LEU . 42.6 t80 -59.37 -44.54 92.72 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 179.587 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -41.67 -47.44 3.96 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.981 0.419 . . . . 0.0 111.085 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.478 ' HE2' HD21 ' A' ' 87' ' ' LEU . 17.8 t80 -59.94 -36.62 77.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.931 179.58 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.489 HD12 ' HA ' ' A' ' 60' ' ' PHE . 58.8 mt -66.67 -55.89 13.12 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.103 -179.73 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.842 ' HB1' ' O ' ' A' ' 69' ' ' VAL . . . -55.04 -49.26 72.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.332 -0.395 . . . . 0.0 112.024 179.744 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.6 -50.37 69.65 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.802 0.334 . . . . 0.0 111.01 -179.499 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -63.33 -41.01 98.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.974 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -78.34 -26.19 46.69 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.904 0.383 . . . . 0.0 111.393 -179.511 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 102.51 1.55 50.2 Favored Glycine 0 CA--C 1.52 0.377 0 C-N-CA 120.595 -0.812 . . . . 0.0 113.94 179.163 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.842 ' O ' ' HB1' ' A' ' 64' ' ' ALA . 35.5 m -102.75 171.57 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.997 0.399 . . . . 0.0 110.624 179.71 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -86.88 178.51 48.45 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 121.013 -0.613 . . . . 0.0 114.087 -178.538 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.2 t -64.95 -14.74 60.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.21 -0.495 . . . . 0.0 111.13 178.399 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -109.35 14.09 23.87 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.722 -0.217 . . . . 0.0 111.336 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -95.4 -165.08 34.84 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.426 -0.892 . . . . 0.0 112.92 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.474 ' HB2' ' HB1' ' A' ' 23' ' ' ALA . 0.1 OUTLIER -141.68 155.06 45.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.867 0.365 . . . . 0.0 111.29 -179.552 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.45 HD21 ' HB3' ' A' ' 63' ' ' LEU . 1.5 mp -114.32 141.94 46.95 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.778 179.727 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 5.3 p -88.57 162.52 16.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.093 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.454 ' O ' HD12 ' A' ' 81' ' ' ILE . 36.7 tt0 -56.12 -48.4 76.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.963 179.68 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.43 -31.08 68.95 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.862 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.56 ' O ' HG23 ' A' ' 83' ' ' VAL . 16.6 mm-40 -74.26 -40.99 61.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.066 0.46 . . . . 0.0 110.106 179.117 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.588 ' O ' HG23 ' A' ' 84' ' ' THR . 39.5 t80 -53.8 -54.99 30.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.835 179.175 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.562 HG23 HD13 ' A' ' 9' ' ' LEU . 3.9 mt -53.79 -51.14 47.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.695 -179.581 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 31.3 mmt180 -58.15 -48.81 79.11 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.393 -179.559 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 79' ' ' GLN . 21.5 t -73.04 -42.46 59.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 N-CA-C 112.259 0.466 . . . . 0.0 112.259 -179.317 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.588 HG23 ' O ' ' A' ' 80' ' ' PHE . 33.4 p -59.0 -44.08 91.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.94 0.4 . . . . 0.0 110.577 -179.572 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -52.16 -47.63 65.36 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.245 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.415 ' HA ' ' HB2' ' A' ' 90' ' ' GLU . 4.7 m120 -59.94 -39.99 87.41 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.604 -179.728 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.478 HD21 ' HE2' ' A' ' 62' ' ' TYR . 0.7 OUTLIER -57.42 -50.12 74.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.477 -179.796 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 4.4 mt -71.62 -47.43 57.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.591 -179.516 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -89.2 -76.07 0.42 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.399 -179.46 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.415 ' HB2' ' HA ' ' A' ' 86' ' ' ASN . 0.6 OUTLIER -57.65 -161.49 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.83 0.347 . . . . 0.0 110.85 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 11.2 mm-40 63.25 143.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.022 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -77.51 165.74 53.01 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.691 179.801 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -56.56 -56.65 18.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.944 0.402 . . . . 0.0 110.947 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.93 -12.27 10.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.788 -0.642 . . . . 0.0 112.482 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.76 -47.47 30.92 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.805 0.336 . . . . 0.0 110.327 179.71 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.632 ' CE1' HD22 ' A' ' 100' ' ' LEU . 0.1 OUTLIER -67.8 -44.42 77.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.96 179.736 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 27.9 m-80 -68.11 -36.14 79.28 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.041 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 43.8 ttp85 -62.29 -66.08 0.59 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.684 -179.416 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 16.7 t -72.01 -34.4 50.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 112.917 0.71 . . . . 0.0 112.917 -178.149 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.632 HD22 ' CE1' ' A' ' 96' ' ' PHE . 3.2 tp -87.56 -28.07 22.19 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 119.673 -0.811 . . . . 0.0 111.858 -177.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.473 ' N ' ' HD2' ' A' ' 102' ' ' PRO . . . -41.57 -54.26 4.13 Favored Glycine 0 CA--C 1.523 0.554 0 C-N-CA 120.869 -0.681 . . . . 0.0 112.74 179.524 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.473 ' HD2' ' N ' ' A' ' 101' ' ' GLY . 57.0 Cg_endo -70.84 -15.15 33.05 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.644 2.229 . . . . 0.0 112.308 179.614 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 41.8 t -79.38 -52.82 14.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.944 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.931 ' O ' HG23 ' A' ' 108' ' ' VAL . 26.9 t -67.15 -28.57 43.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.121 0.486 . . . . 0.0 110.403 179.341 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 8.6 mttt -57.84 -48.18 80.5 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.356 178.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -52.33 -44.57 58.32 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.3 179.755 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 4.9 mt -72.87 -32.25 39.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.83 0.348 . . . . 0.0 110.569 179.635 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.931 HG23 ' O ' ' A' ' 104' ' ' VAL . 84.4 t -59.27 -42.01 85.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 179.132 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -75.66 57.36 2.99 Favored Glycine 0 CA--C 1.522 0.473 0 C-N-CA 121.021 -0.609 . . . . 0.0 112.159 178.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 22.3 mtp -159.05 -39.56 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.311 -0.444 . . . . 0.0 111.287 -179.581 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 2.7 m -92.35 43.21 1.12 Allowed 'General case' 0 CA--C 1.52 -0.186 0 CA-C-O 121.248 0.547 . . . . 0.0 111.625 -178.392 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ASP . . . . . 0.42 ' OD1' ' N ' ' A' ' 115' ' ' ALA . 13.2 t70 -168.0 109.17 0.57 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.515 -179.578 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 9.1 mtmt -95.93 11.12 34.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.084 178.756 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -105.12 -19.66 13.75 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-O 120.8 0.333 . . . . 0.0 110.765 179.548 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.42 ' N ' ' OD1' ' A' ' 112' ' ' ASP . . . 62.43 67.63 0.71 Allowed 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 179.312 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 25.8 p-10 -121.12 -11.21 8.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.389 179.237 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 84.5 2.62 88.88 Favored Glycine 0 CA--C 1.521 0.424 0 C-N-CA 120.586 -0.816 . . . . 0.0 113.406 179.412 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 12.0 mm-40 -124.85 165.56 17.82 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 117.323 0.562 . . . . 0.0 111.638 -179.389 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.754 HG13 HD11 ' A' ' 158' ' ' LEU . 25.6 mm -113.01 100.98 11.83 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.75 -179.138 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' ASN . . . . . 0.424 ' O ' ' N ' ' A' ' 123' ' ' GLU . 0.6 OUTLIER -86.01 160.04 19.44 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.686 -0.406 . . . . 0.0 110.042 179.345 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -48.4 -38.8 20.48 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.669 0.271 . . . . 0.0 111.282 -178.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -69.67 -27.52 65.1 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 179.111 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 120' ' ' ASN . 3.8 mt-10 -82.35 -46.71 13.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.25 -0.432 . . . . 0.0 109.892 178.739 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -56.57 -48.39 77.46 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.914 0.388 . . . . 0.0 110.847 179.766 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.494 ' O ' HG23 ' A' ' 129' ' ' THR . . . -54.92 -45.25 74.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.795 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -54.93 -34.43 63.16 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.657 -179.686 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' TRP . . . . . 0.666 ' NE1' HD11 ' A' ' 131' ' ' LEU . 18.1 t90 -81.21 -39.85 24.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.784 0.326 . . . . 0.0 111.68 -179.005 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.606 HD13 ' HA ' ' A' ' 138' ' ' ALA . 0.2 OUTLIER -62.08 -44.1 97.39 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.399 -179.601 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 129' ' ' THR . . . . . 0.494 HG23 ' O ' ' A' ' 125' ' ' ALA . 18.1 p -73.45 -25.84 60.67 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.933 179.799 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -65.2 -37.74 88.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.051 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.666 HD11 ' NE1' ' A' ' 127' ' ' TRP . 3.4 mt -85.96 -6.4 59.06 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 112.237 0.458 . . . . 0.0 112.237 -178.349 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 114.11 24.21 4.6 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 119.938 -1.125 . . . . 0.0 114.069 178.746 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' MET . . . . . 0.421 ' O ' ' HA ' ' A' ' 129' ' ' THR . 2.3 mmt -100.93 154.48 18.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 117.263 0.532 . . . . 0.0 110.107 179.164 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 3.2 m -83.38 154.74 23.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.748 0.309 . . . . 0.0 110.595 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -59.79 -20.77 58.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.699 -179.396 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -80.26 -28.39 38.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.848 179.538 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -73.18 -39.0 65.97 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.074 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 138' ' ' ALA . . . . . 0.606 ' HA ' HD13 ' A' ' 128' ' ' LEU . . . -58.9 -56.79 17.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.97 0.414 . . . . 0.0 110.416 179.722 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -49.56 -43.65 46.14 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.988 179.363 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -70.66 -48.09 56.6 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.658 -179.671 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 141' ' ' ALA . . . . . 0.433 ' O ' HG23 ' A' ' 145' ' ' VAL . . . -63.32 -41.78 98.94 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.828 -179.222 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 62.3 t80 -51.28 -58.28 6.61 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.68 179.436 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -57.21 -34.5 68.59 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.739 -0.664 . . . . 0.0 112.19 -179.652 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 144' ' ' GLN . . . . . 0.427 ' NE2' ' HA ' ' A' ' 141' ' ' ALA . 5.7 mt-30 -66.12 -37.18 85.08 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 -178.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 0.464 ' O ' ' N ' ' A' ' 147' ' ' THR . 21.3 t -84.01 -31.67 8.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 112.616 0.599 . . . . 0.0 112.616 -177.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.9 78.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.216 0.532 . . . . 0.0 110.936 -179.481 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 147' ' ' THR . . . . . 0.464 ' N ' ' O ' ' A' ' 145' ' ' VAL . 0.1 OUTLIER -56.9 -30.2 63.72 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.444 -0.798 . . . . 0.0 112.184 179.652 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 148' ' ' ASN . . . . . 0.4 ' ND2' ' OE2' ' A' ' 157' ' ' GLU . 46.9 p30 -99.57 5.92 45.89 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.488 0.551 . . . . 0.0 112.488 -178.513 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 41.02 41.75 2.77 Favored Glycine 0 C--N 1.336 0.536 0 C-N-CA 120.918 -0.658 . . . . 0.0 113.127 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 31.4 p-10 -96.47 -7.74 34.01 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 111.737 0.273 . . . . 0.0 111.737 -179.433 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 87.75 5.08 78.53 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.499 -0.858 . . . . 0.0 113.432 179.223 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -134.7 136.73 42.96 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 117.25 0.525 . . . . 0.0 111.401 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 0.448 ' CB ' ' HB ' ' A' ' 119' ' ' ILE . 9.8 mt -99.84 102.48 13.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.1 178.751 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 14.0 m -90.49 168.43 11.84 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.922 0.392 . . . . 0.0 111.471 -179.137 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 155' ' ' LEU . . . . . 0.703 HD12 HG21 ' A' ' 108' ' ' VAL . 5.6 tp -50.77 -45.63 59.13 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.677 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -56.66 -61.03 2.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.111 0.482 . . . . 0.0 110.106 179.501 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 157' ' ' GLU . . . . . 0.4 ' OE2' ' ND2' ' A' ' 148' ' ' ASN . 36.2 mt-10 -65.11 -13.28 57.69 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.655 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 158' ' ' LEU . . . . . 0.754 HD11 HG13 ' A' ' 119' ' ' ILE . 0.2 OUTLIER -70.47 -42.32 71.6 Favored 'General case' 0 N--CA 1.457 -0.099 0 CA-C-O 120.954 0.407 . . . . 0.0 110.016 179.183 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.57 HD22 HG21 ' A' ' 104' ' ' VAL . 0.4 OUTLIER -71.05 -32.7 69.48 Favored 'General case' 0 CA--C 1.52 -0.177 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.039 179.337 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 24.1 m -51.64 -25.9 7.98 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.363 179.575 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 161' ' ' ALA . . . . . 0.603 ' HB1' ' CG2' ' A' ' 172' ' ' VAL . . . -66.64 -43.97 83.2 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.887 179.003 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 162' ' ' VAL . . . . . 0.53 HG22 HD13 ' A' ' 174' ' ' LEU . 6.9 t -53.88 -44.65 61.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.758 -179.64 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 11.1 ptp180 -78.93 66.64 4.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.04 -0.527 . . . . 0.0 112.046 -178.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -179.77 36.31 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.884 0.373 . . . . 0.0 111.136 179.097 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 5.7 p90 -122.45 -38.36 2.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.715 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 40.0 t-80 -52.47 -55.52 21.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.865 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 167' ' ' PHE . . . . . 0.481 ' O ' ' CD1' ' A' ' 167' ' ' PHE . 31.6 p90 -100.44 118.74 37.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.027 0.441 . . . . 0.0 110.903 179.763 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . 45.59 66.23 1.66 Allowed Glycine 0 CA--C 1.519 0.304 0 C-N-CA 121.062 -0.59 . . . . 0.0 113.124 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 169' ' ' ARG . . . . . . . . . . . . . 2.6 ptm180 -58.58 129.53 42.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.635 0.255 . . . . 0.0 110.699 179.633 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -84.51 -87.4 0.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.553 179.78 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 20.6 p-10 -171.73 61.14 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.75 0.31 . . . . 0.0 111.329 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 172' ' ' VAL . . . . . 0.603 ' CG2' ' HB1' ' A' ' 161' ' ' ALA . 7.5 p -139.16 -50.53 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.297 179.73 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 173' ' ' GLU . . . . . 0.508 ' N ' HG13 ' A' ' 172' ' ' VAL . 0.1 OUTLIER 42.87 -162.16 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.963 0.411 . . . . 0.0 111.757 179.553 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 174' ' ' LEU . . . . . 0.53 HD13 HG22 ' A' ' 162' ' ' VAL . 1.8 tp -160.0 -43.13 0.05 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.747 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 175' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -81.04 56.85 2.92 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.058 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.371 -1.238 . . . . 0.0 112.493 179.895 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 500' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 501' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 502' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 9.4 t . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.799 0.333 . . . . 0.0 111.132 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.473 ' O ' ' HB3' ' A' ' 3' ' ' ALA . 1.0 OUTLIER -62.19 146.31 51.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.808 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.473 ' HB3' ' O ' ' A' ' 2' ' ' THR . . . 68.88 112.24 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.334 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 3.4 mt -79.82 -26.79 12.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.005 179.356 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.532 ' HB2' ' CD2' ' A' ' 167' ' ' PHE . . . -63.92 -39.27 93.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.87 -179.463 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 m -59.71 -47.71 84.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.845 0.355 . . . . 0.0 111.093 -179.631 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -56.76 -50.34 72.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.483 -179.533 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.418 ' HB3' ' CZ ' ' A' ' 165' ' ' PHE . 0.4 OUTLIER -63.42 -46.27 87.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.612 -179.085 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.783 HD13 HG23 ' A' ' 81' ' ' ILE . 9.7 mt -75.35 -36.19 61.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.791 0.329 . . . . 0.0 111.28 -178.788 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.2 -45.94 89.75 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.757 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.417 ' O ' ' N ' ' A' ' 15' ' ' ARG . 1.5 mmpt? -66.86 -44.85 79.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.5 mmt180 -47.79 -33.84 7.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.21 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -73.95 -61.63 1.78 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.409 -179.64 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.09 -15.08 63.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.143 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.417 ' N ' ' O ' ' A' ' 11' ' ' LYS . 14.4 ttt85 -74.2 -17.04 60.95 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 111.651 0.241 . . . . 0.0 111.651 -179.374 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 53.1 m95 -109.0 -96.73 0.39 Allowed 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.848 -0.341 . . . . 0.0 111.798 -179.362 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 43.8 82.87 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 121.003 0.43 . . . . 0.0 110.864 -179.267 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.482 ' CZ ' ' HB3' ' A' ' 31' ' ' LYS . 0.2 OUTLIER -55.47 -52.68 62.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.822 -0.626 . . . . 0.0 112.076 -178.712 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.419 ' OD1' ' N ' ' A' ' 19' ' ' ASP . 20.4 p-10 -97.55 -12.61 22.35 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 111.805 0.298 . . . . 0.0 111.805 -179.296 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.26 44.06 18.78 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.497 -0.859 . . . . 0.0 112.366 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -92.29 -8.8 44.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.728 0.264 . . . . 0.0 111.562 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 82.58 20.16 62.46 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.577 -0.82 . . . . 0.0 112.425 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -155.27 177.72 11.03 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.579 0.228 . . . . 0.0 110.599 179.683 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -115.22 118.28 32.87 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.822 0.344 . . . . 0.0 110.492 179.782 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -115.11 171.06 7.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.097 0.475 . . . . 0.0 110.611 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.4 ' HA ' ' CD1' ' A' ' 60' ' ' PHE . 23.7 ttp180 -69.15 -34.17 74.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.932 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.63 -18.23 64.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.235 179.709 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -70.76 -29.63 65.9 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.788 0.327 . . . . 0.0 110.203 179.491 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -76.82 -39.31 51.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.265 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.38 -44.76 93.82 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.493 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.482 ' HB3' ' CZ ' ' A' ' 18' ' ' PHE . 5.4 mttt -64.7 -42.11 95.53 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.938 0.399 . . . . 0.0 110.015 179.468 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -53.4 -59.46 4.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.031 179.366 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.596 ' HA ' HD12 ' A' ' 36' ' ' ILE . . . -47.23 -49.15 23.74 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.007 0.432 . . . . 0.0 110.915 179.412 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.55 -47.86 84.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.069 179.493 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 4.4 t-80 -56.43 -22.91 34.96 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.648 179.532 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.596 HD12 ' HA ' ' A' ' 33' ' ' ALA . 58.2 mt -82.95 -55.7 6.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.141 179.718 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -44.29 -42.56 6.78 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-O 120.847 0.356 . . . . 0.0 111.255 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.11 -39.15 91.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.214 179.517 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.08 -30.77 71.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.064 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.427 ' CE2' ' HB3' ' A' ' 111' ' ' CYS . 0.1 OUTLIER -89.69 3.82 51.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.482 -179.745 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 52.92 65.49 3.33 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.458 -0.877 . . . . 0.0 112.487 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -147.63 91.48 1.96 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.814 0.34 . . . . 0.0 110.358 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.44 ' CB ' ' HB2' ' A' ' 46' ' ' ALA . 0.2 OUTLIER 39.43 -160.75 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.863 179.768 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -140.06 -58.26 0.55 Allowed 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 177.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -96.09 24.27 30.8 Favored Glycine 0 N--CA 1.453 -0.21 0 CA-C-N 114.73 -1.123 . . . . 0.0 112.254 179.496 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.44 ' HB2' ' CB ' ' A' ' 43' ' ' ASP . . . -68.77 -173.59 0.48 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 117.151 0.476 . . . . 0.0 110.815 179.465 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -76.6 -51.38 11.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.046 0.451 . . . . 0.0 110.431 179.321 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.4 ' HB2' ' HG2' ' A' ' 110' ' ' MET . 16.8 pt-20 -50.46 -39.07 46.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.801 -0.636 . . . . 0.0 112.312 -178.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 17.9 t -75.79 -37.98 36.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 C-N-CA 120.965 -0.294 . . . . 0.0 111.218 -179.097 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 17.8 tt0 -60.2 -42.58 95.42 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 178.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 24.9 m -57.03 -57.52 12.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.294 179.444 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.523 HD13 HG13 ' A' ' 107' ' ' ILE . 38.3 tp -50.56 -57.25 8.59 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.994 -0.282 . . . . 0.0 110.241 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 26.5 mtpp -50.42 -41.51 52.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.677 0.275 . . . . 0.0 110.484 179.294 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -58.69 -43.48 90.03 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 179.362 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.43 ' CB ' ' O ' ' A' ' 102' ' ' PRO . . . -67.58 -50.88 56.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.729 179.334 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.465 ' CD2' ' HB2' ' A' ' 33' ' ' ALA . 0.7 OUTLIER -51.26 -30.67 18.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.533 179.722 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -62.25 -50.51 64.34 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.173 179.751 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -64.31 -27.8 72.12 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.016 179.675 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 22.7 tp -57.11 -45.0 83.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.776 0.322 . . . . 0.0 110.461 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.408 ' O ' ' HB2' ' A' ' 63' ' ' LEU . 53.8 t80 -62.2 -39.94 94.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.949 0.404 . . . . 0.0 109.981 179.097 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -42.18 -48.16 4.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.486 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.67 ' HB2' HG21 ' A' ' 99' ' ' VAL . 73.9 t80 -58.18 -37.47 74.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.118 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.468 HD23 ' HA ' ' A' ' 63' ' ' LEU . 13.2 mt -64.64 -54.29 34.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.972 179.665 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.457 ' HA ' ' CG2' ' A' ' 69' ' ' VAL . . . -54.85 -44.4 73.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.861 0.363 . . . . 0.0 111.179 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.1 tptt -66.43 -55.15 17.08 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.023 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -60.09 -41.88 93.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.069 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -76.78 -26.21 54.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.623 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 75.86 61.93 2.77 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.943 -0.646 . . . . 0.0 113.651 179.04 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.457 ' CG2' ' HA ' ' A' ' 64' ' ' ALA . 0.0 OUTLIER -119.95 -85.18 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 O-C-N 122.829 -0.218 . . . . 0.0 111.155 179.925 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.544 ' O ' ' CB ' ' A' ' 71' ' ' SER . . . -179.14 -24.99 0.04 OUTLIER Glycine 0 CA--C 1.523 0.588 0 C-N-CA 119.557 -1.306 . . . . 0.0 114.655 -179.647 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.544 ' CB ' ' O ' ' A' ' 70' ' ' GLY . 53.9 p 113.17 -28.13 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 124.241 1.016 . . . . 0.0 109.64 -178.549 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -108.46 9.65 27.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.919 179.28 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -94.94 -160.31 33.85 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.541 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.439 ' C ' HD23 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -142.83 156.3 44.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.047 0.451 . . . . 0.0 111.696 -179.443 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.439 HD23 ' C ' ' A' ' 74' ' ' SER . 11.9 mt -116.32 138.93 50.92 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.531 179.476 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.402 ' OG1' ' HG2' ' A' ' 79' ' ' GLN . 2.8 p -87.59 169.06 12.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.789 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -55.35 -48.35 74.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.842 0.353 . . . . 0.0 110.965 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -58.76 -31.74 68.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.695 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.402 ' HG2' ' OG1' ' A' ' 76' ' ' THR . 23.3 mm-40 -72.37 -43.61 63.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.945 0.402 . . . . 0.0 110.108 179.318 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -50.46 -58.08 6.57 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.597 179.359 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.783 HG23 HD13 ' A' ' 9' ' ' LEU . 50.3 mt -54.61 -49.02 70.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.374 -179.796 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 7.4 mmm180 -57.16 -52.99 63.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.294 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.452 HG23 ' N ' ' A' ' 84' ' ' THR . 14.4 m -70.93 -43.42 76.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.751 0.31 . . . . 0.0 111.555 -179.625 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.452 ' N ' HG23 ' A' ' 83' ' ' VAL . 96.2 m -61.97 -45.45 93.6 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.056 0.455 . . . . 0.0 110.133 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -52.19 -49.01 64.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.648 -0.706 . . . . 0.0 111.218 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.424 ' O ' ' N ' ' A' ' 90' ' ' GLU . 2.6 m120 -59.87 -39.13 84.24 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.029 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.9 mt -58.9 -44.33 91.21 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.066 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.659 HG21 ' HB3' ' A' ' 166' ' ' HIS . 16.4 mt -71.81 -46.64 60.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.327 -179.709 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -89.13 -73.33 0.51 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.768 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 86' ' ' ASN . 0.3 OUTLIER -63.51 -167.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.621 179.792 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 39.3 mm-40 71.04 151.1 0.1 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.998 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -85.25 159.41 33.79 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.829 -0.7 . . . . 0.0 113.022 -179.666 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -56.49 -57.2 13.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.982 0.42 . . . . 0.0 111.003 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.15 -12.27 11.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.911 -0.586 . . . . 0.0 112.444 -179.652 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -73.65 -40.45 63.72 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.736 0.303 . . . . 0.0 111.092 -179.678 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.403 ' O ' ' HB3' ' A' ' 100' ' ' LEU . 0.1 OUTLIER -69.61 -41.86 75.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.011 0.434 . . . . 0.0 110.886 179.759 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -67.78 -36.03 79.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.809 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 2.4 ttt-85 -63.64 -66.1 0.59 Allowed 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 111.93 0.345 . . . . 0.0 111.93 -179.299 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.67 HG21 ' HB2' ' A' ' 62' ' ' TYR . 9.2 p -66.76 -39.57 83.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 112.726 0.639 . . . . 0.0 112.726 -177.824 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.403 ' HB3' ' O ' ' A' ' 96' ' ' PHE . 5.3 tp -88.25 -25.25 22.95 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.187 -0.605 . . . . 0.0 112.279 -177.792 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.453 ' N ' ' HD2' ' A' ' 102' ' ' PRO . . . -40.41 -58.34 2.49 Favored Glycine 0 CA--C 1.523 0.569 0 C-N-CA 120.909 -0.663 . . . . 0.0 113.115 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.453 ' HD2' ' N ' ' A' ' 101' ' ' GLY . 39.3 Cg_endo -66.59 -10.75 29.06 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.666 2.244 . . . . 0.0 112.6 179.596 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 45.8 t -79.74 -54.78 10.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.987 -179.669 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.615 ' O ' HG23 ' A' ' 108' ' ' VAL . 5.2 p -68.25 -36.95 77.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.616 0.722 . . . . 0.0 110.595 179.561 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.83 -59.26 4.85 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.677 -1.147 . . . . 0.0 111.387 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -45.31 -33.74 4.3 Favored Glycine 0 C--N 1.332 0.334 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.674 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.547 HD12 ' HA ' ' A' ' 104' ' ' VAL . 12.9 mt -77.1 -40.38 30.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 120.787 0.327 . . . . 0.0 111.529 -179.572 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.615 HG13 HD11 ' A' ' 119' ' ' ILE . 31.0 t -63.97 -29.05 46.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.691 -179.754 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -71.46 -30.43 66.79 Favored Glycine 0 CA--C 1.518 0.237 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.926 -179.644 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' MET . . . . . 0.4 ' HG2' ' HB2' ' A' ' 48' ' ' GLU . 1.5 mtp -78.69 -23.76 45.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.678 0.239 . . . . 0.0 111.275 -179.287 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' CYS . . . . . 0.427 ' HB3' ' CE2' ' A' ' 40' ' ' PHE . 19.0 p -101.04 -20.27 15.45 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 113.181 0.808 . . . . 0.0 113.181 -178.228 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ASP . . . . . 0.569 ' OD2' HG12 ' A' ' 108' ' ' VAL . 0.6 OUTLIER -62.03 104.16 0.44 Allowed 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.327 -0.549 . . . . 0.0 110.807 -178.683 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.74 -20.65 25.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.03 179.307 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 53.9 p30 -107.03 2.72 25.26 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.434 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . 43.09 65.28 0.99 Allowed 'General case' 0 N--CA 1.461 0.101 0 N-CA-C 111.789 0.292 . . . . 0.0 111.789 179.555 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 55.4 p30 -123.9 -8.77 7.78 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.667 179.44 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 79.45 8.54 87.69 Favored Glycine 0 C--N 1.333 0.395 0 C-N-CA 120.785 -0.721 . . . . 0.0 113.116 179.582 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -121.96 167.18 13.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.977 0.417 . . . . 0.0 111.545 -179.585 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.615 HD11 HG13 ' A' ' 108' ' ' VAL . 42.1 mm -111.0 100.24 10.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.196 -179.434 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' ASN . . . . . 0.432 ' O ' ' N ' ' A' ' 123' ' ' GLU . 18.4 p30 -87.63 156.58 19.41 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 178.848 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -44.7 -36.41 3.13 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 111.852 0.316 . . . . 0.0 111.852 -178.656 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -71.47 -30.84 66.47 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.626 0.25 . . . . 0.0 110.365 179.324 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 120' ' ' ASN . 49.0 mt-10 -77.66 -48.92 15.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.264 179.028 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 124' ' ' PHE . . . . . 0.504 ' CD1' HG21 ' A' ' 119' ' ' ILE . 0.6 OUTLIER -56.57 -50.88 70.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.709 -179.466 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -54.79 -42.89 72.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.4 -179.444 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -54.89 -31.97 60.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.993 -179.436 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 12.2 t90 -88.73 -36.63 16.04 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 111.696 0.258 . . . . 0.0 111.696 -178.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.507 HD13 ' HA ' ' A' ' 138' ' ' ALA . 0.2 OUTLIER -61.9 -41.61 98.1 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.965 0.412 . . . . 0.0 110.537 179.919 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 129' ' ' THR . . . . . 0.422 ' HA ' ' O ' ' A' ' 133' ' ' MET . 73.0 p -71.77 -24.11 61.7 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.904 178.687 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -66.47 -38.41 87.25 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.399 179.68 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 18.1 mt -85.91 -2.72 58.54 Favored 'General case' 0 N--CA 1.463 0.188 0 N-CA-C 112.645 0.609 . . . . 0.0 112.645 -178.221 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 108.95 25.35 5.67 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 119.92 -1.133 . . . . 0.0 113.57 179.177 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' MET . . . . . 0.422 ' O ' ' HA ' ' A' ' 129' ' ' THR . 1.7 mmt -102.14 152.98 20.36 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 117.062 0.431 . . . . 0.0 109.954 179.123 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -82.21 160.75 22.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.845 0.355 . . . . 0.0 111.092 -179.773 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.04 -28.74 69.81 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.557 -179.384 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -74.1 -23.88 59.38 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.114 179.65 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -74.74 -41.46 60.08 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.586 -179.624 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 138' ' ' ALA . . . . . 0.507 ' HA ' HD13 ' A' ' 128' ' ' LEU . . . -59.18 -58.02 10.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.825 0.345 . . . . 0.0 110.967 -179.673 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -49.39 -43.29 44.13 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.111 179.612 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.67 -48.78 58.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.389 -179.491 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 141' ' ' ALA . . . . . 0.717 ' O ' HG23 ' A' ' 145' ' ' VAL . . . -64.66 -34.13 77.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.762 -179.228 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -58.57 -59.71 4.96 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.21 0.529 . . . . 0.0 110.8 179.651 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -56.8 -35.3 68.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.445 -0.798 . . . . 0.0 112.987 -178.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 144' ' ' GLN . . . . . 0.448 ' HG2' ' HA ' ' A' ' 141' ' ' ALA . 6.8 pt20 -69.2 -28.59 66.51 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 111.846 0.313 . . . . 0.0 111.846 -178.764 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 0.717 HG23 ' O ' ' A' ' 141' ' ' ALA . 33.5 t -84.09 -32.73 8.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -178.631 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.89 78.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.154 0.502 . . . . 0.0 111.297 -179.321 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 147' ' ' THR . . . . . 0.449 ' N ' ' O ' ' A' ' 145' ' ' VAL . 33.3 m -57.5 -35.25 69.97 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.51 -0.768 . . . . 0.0 112.336 179.764 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 25.6 p-10 -95.19 4.99 53.0 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.231 0.456 . . . . 0.0 112.231 -178.283 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 40.78 38.39 1.58 Allowed Glycine 0 C--N 1.334 0.46 0 C-N-CA 121.052 -0.594 . . . . 0.0 113.275 179.551 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 31.5 p-10 -94.45 -6.59 43.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.546 0.212 . . . . 0.0 111.472 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 89.31 4.09 74.53 Favored Glycine 0 C--N 1.333 0.416 0 C-N-CA 120.761 -0.733 . . . . 0.0 113.501 178.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 83.7 mt-10 -134.59 135.54 42.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 117.344 0.572 . . . . 0.0 111.143 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 0.407 ' HB2' ' O ' ' A' ' 119' ' ' ILE . 36.0 mt -103.41 102.65 12.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.921 178.755 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.76 168.47 12.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.982 0.42 . . . . 0.0 111.594 -179.138 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 155' ' ' LEU . . . . . 0.438 ' O ' ' HG ' ' A' ' 159' ' ' LEU . 0.6 OUTLIER -48.08 -43.72 30.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.916 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -56.18 -55.75 29.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.627 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -62.75 -19.85 64.37 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.016 -0.538 . . . . 0.0 112.222 -178.67 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 158' ' ' LEU . . . . . 0.538 HD11 HG13 ' A' ' 119' ' ' ILE . 5.6 mt -76.29 -62.52 1.58 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.797 179.059 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.514 ' N ' HD23 ' A' ' 159' ' ' LEU . 0.9 OUTLIER -43.55 -53.09 5.84 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.427 -179.127 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 160' ' ' THR . . . . . 0.481 HG23 ' N ' ' A' ' 161' ' ' ALA . 10.5 t -51.72 -49.14 63.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.943 0.402 . . . . 0.0 110.056 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 161' ' ' ALA . . . . . 0.481 ' N ' HG23 ' A' ' 160' ' ' THR . . . -62.44 -49.57 74.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.97 178.661 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 162' ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' ' 158' ' ' LEU . 75.8 t -54.62 -21.53 7.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.513 179.535 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 163' ' ' ARG . . . . . 0.418 ' CG ' ' O ' ' A' ' 160' ' ' THR . 7.2 ptm180 -42.19 -29.22 0.23 Allowed 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.683 -179.479 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 164' ' ' ASP . . . . . 0.417 ' HA ' ' HA ' ' A' ' 173' ' ' GLU . 3.0 m-20 78.45 155.09 0.15 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.934 0.397 . . . . 0.0 110.842 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 165' ' ' PHE . . . . . 0.418 ' CZ ' ' HB3' ' A' ' 8' ' ' ARG . 0.3 OUTLIER -58.52 -157.27 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.961 -179.904 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 166' ' ' HIS . . . . . 0.659 ' HB3' HG21 ' A' ' 88' ' ' ILE . 15.1 p80 -168.41 -42.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.09 179.732 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 167' ' ' PHE . . . . . 0.532 ' CD2' ' HB2' ' A' ' 5' ' ' ALA . 70.0 m-85 -154.93 69.57 0.73 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.299 179.456 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . 52.77 60.26 8.18 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.661 -0.781 . . . . 0.0 111.941 -179.458 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 169' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -102.76 -77.81 0.55 Allowed 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 111.638 0.236 . . . . 0.0 111.638 -179.319 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 6.8 tp -121.47 171.15 9.0 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.907 0.384 . . . . 0.0 111.36 -179.372 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 59.8 m-20 -94.12 -4.64 48.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.82 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 172' ' ' VAL . . . . . 0.432 HG11 ' HB1' ' A' ' 161' ' ' ALA . 86.5 t -45.82 -80.49 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.529 0.158 0 CA-C-O 120.596 0.236 . . . . 0.0 111.444 -179.709 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 173' ' ' GLU . . . . . 0.417 ' HA ' ' HA ' ' A' ' 164' ' ' ASP . 12.9 mt-10 50.02 179.97 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.829 0.347 . . . . 0.0 110.944 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 174' ' ' LEU . . . . . 0.464 HD22 HG13 ' A' ' 162' ' ' VAL . 0.5 OUTLIER -172.68 -68.57 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.004 179.834 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 175' ' ' LEU . . . . . . . . . . . . . 1.7 mm? 48.74 55.96 8.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.039 0.447 . . . . 0.0 110.933 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 176' ' ' GLY . . . . . 0.449 ' H ' HD23 ' A' ' 174' ' ' LEU . . . . . . . . 0 C--O 1.248 0.992 0 CA-C-O 118.405 -1.219 . . . . 0.0 112.501 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 500' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 501' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 502' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' THR . . . . . 0.404 ' O ' ' N ' ' A' ' 3' ' ' ALA . 0.1 OUTLIER . . . . . 0 N--CA 1.484 1.245 0 CA-C-O 120.656 0.265 . . . . 0.0 110.884 . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 67.37 -67.48 0.17 Allowed 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.529 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.404 ' N ' ' O ' ' A' ' 1' ' ' THR . . . -50.33 112.61 0.71 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.04 179.484 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 27.3 mm -78.29 -28.97 15.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.106 0.479 . . . . 0.0 110.889 179.675 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.39 -37.14 86.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.772 -179.36 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.1 t -58.08 -57.67 11.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.34 -179.534 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -49.07 -49.76 40.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.843 -179.614 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.79 -46.28 91.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.712 -178.733 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.644 HD13 HG23 ' A' ' 81' ' ' ILE . 2.5 mt -77.21 -30.38 54.64 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 111.952 0.353 . . . . 0.0 111.952 -178.754 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.77 -47.11 87.78 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.665 0.269 . . . . 0.0 111.454 -179.394 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.1 mttp -65.2 -46.47 80.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.793 -179.629 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.38 -26.26 1.99 Allowed 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 121.016 0.436 . . . . 0.0 110.833 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 43.1 t80 -71.43 -65.75 0.71 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.806 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -70.18 -21.15 63.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.214 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -73.57 -15.23 61.29 Favored 'General case' 0 N--CA 1.465 0.275 0 N-CA-C 111.737 0.273 . . . . 0.0 111.737 -179.713 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 11.6 m95 -115.65 18.08 15.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.77 0.319 . . . . 0.0 110.975 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.71 82.15 5.86 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-O 121.088 0.47 . . . . 0.0 110.71 179.593 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.453 ' CZ ' ' HB3' ' A' ' 31' ' ' LYS . 0.2 OUTLIER -53.11 -50.66 64.01 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.456 -179.308 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -99.65 -12.82 19.7 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 111.922 0.342 . . . . 0.0 111.922 -179.528 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 74.15 45.95 23.51 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.229 -0.986 . . . . 0.0 112.098 -179.51 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 18.1 p-10 -92.73 -9.66 39.87 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 111.694 0.257 . . . . 0.0 111.694 -179.663 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 83.85 21.44 57.6 Favored Glycine 0 C--N 1.332 0.316 0 C-N-CA 120.472 -0.87 . . . . 0.0 112.933 179.684 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -157.13 179.72 9.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.61 0.243 . . . . 0.0 110.705 179.647 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.428 ' O ' HD12 ' A' ' 75' ' ' LEU . 7.2 mt -118.32 119.73 35.51 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.803 0.335 . . . . 0.0 110.603 179.245 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -116.32 170.25 8.68 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.995 0.426 . . . . 0.0 110.373 179.711 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -69.34 -37.96 77.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.57 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.05 -19.92 35.2 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.13 179.632 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.409 ' OD1' ' HB2' ' A' ' 18' ' ' PHE . 4.7 m-20 -72.03 -27.03 62.44 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.498 179.749 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.879 ' CE2' HD12 ' A' ' 59' ' ' LEU . 7.1 m-85 -76.82 -39.44 51.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.805 0.336 . . . . 0.0 110.727 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -63.5 -40.78 97.98 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.369 179.655 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.453 ' HB3' ' CZ ' ' A' ' 18' ' ' PHE . 0.0 OUTLIER -67.01 -45.46 77.47 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.939 0.4 . . . . 0.0 110.044 179.33 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.402 ' O ' HG13 ' A' ' 36' ' ' ILE . 0.9 OUTLIER -51.8 -59.47 4.27 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 178.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -43.47 -50.85 6.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.082 178.708 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -62.97 -49.68 73.76 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.457 179.71 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -54.95 -23.92 21.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.538 179.797 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.402 HG13 ' O ' ' A' ' 32' ' ' GLU . 75.6 mt -83.5 -53.79 10.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.663 179.701 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.646 ' HB2' HG13 ' A' ' 49' ' ' VAL . . . -45.54 -42.27 10.71 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.884 0.373 . . . . 0.0 111.449 179.53 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -61.54 -39.35 90.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.149 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -58.25 -24.25 58.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.809 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 -92.47 3.72 54.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.466 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 67.41 11.75 60.01 Favored Glycine 0 C--N 1.333 0.371 0 C-N-CA 120.864 -0.684 . . . . 0.0 113.087 179.615 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -89.1 162.61 15.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.862 0.331 . . . . 0.0 110.61 179.723 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.551 ' O ' HG21 ' A' ' 49' ' ' VAL . 2.2 m-20 -72.63 131.15 42.06 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.284 -179.834 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.32 -14.74 63.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.246 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -103.65 14.47 53.53 Favored Glycine 0 C--N 1.332 0.326 0 C-N-CA 120.518 -0.849 . . . . 0.0 113.415 -179.277 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.603 ' HB3' HG23 ' A' ' 49' ' ' VAL . . . -71.03 -168.41 0.28 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.765 0.316 . . . . 0.0 110.827 179.135 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -91.55 -46.7 7.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.673 179.438 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.426 ' HG2' ' HG3' ' A' ' 110' ' ' MET . 0.0 OUTLIER -60.08 -27.34 66.91 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.039 -0.528 . . . . 0.0 112.135 -179.149 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.646 HG13 ' HB2' ' A' ' 37' ' ' ALA . 1.6 t -77.05 -41.88 31.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 C-N-CA 120.704 -0.398 . . . . 0.0 110.162 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.428 ' HG3' ' O ' ' A' ' 46' ' ' ALA . 0.3 OUTLIER -61.54 -41.52 97.46 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 178.788 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 95.0 m -56.87 -58.07 9.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.374 179.302 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 11.0 tp -49.79 -58.73 4.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.419 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -49.94 -40.89 45.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.714 0.292 . . . . 0.0 110.422 179.557 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -56.56 -42.73 79.05 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.652 179.643 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.71 -53.56 17.92 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.019 0.438 . . . . 0.0 110.674 179.074 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -47.77 -31.54 4.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.927 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -63.7 -50.41 61.72 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.368 179.534 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -61.23 -28.78 69.74 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.978 -0.629 . . . . 0.0 112.775 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.879 HD12 ' CE2' ' A' ' 29' ' ' PHE . 3.4 tm? -58.97 -40.44 84.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.596 0.198 . . . . 0.0 111.213 -179.569 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -59.88 -39.24 84.65 Favored 'General case' 0 C--N 1.333 -0.11 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 179.038 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -42.55 -44.8 4.29 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 121.14 0.495 . . . . 0.0 110.942 179.18 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.468 ' CE2' ' OE2' ' A' ' 66' ' ' GLU . 40.3 t80 -59.93 -38.66 83.05 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.952 179.788 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.404 ' HB3' HD21 ' A' ' 75' ' ' LEU . 33.0 mt -65.81 -58.31 5.91 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.344 -179.463 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.408 ' O ' ' N ' ' A' ' 68' ' ' GLY . . . -55.74 -43.72 76.9 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.675 0.274 . . . . 0.0 111.46 -179.489 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.35 -56.64 10.13 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.17 0.509 . . . . 0.0 110.741 179.747 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.468 ' OE2' ' CE2' ' A' ' 62' ' ' TYR . 0.5 OUTLIER -60.5 -42.5 96.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.546 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -75.31 -27.82 59.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.04 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 64' ' ' ALA . . . 78.01 51.89 5.59 Favored Glycine 0 N--CA 1.45 -0.384 0 CA-C-N 115.71 -0.677 . . . . 0.0 113.261 179.106 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.48 HG12 ' HA3' ' A' ' 73' ' ' GLY . 49.1 t -122.59 -79.29 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.561 0.22 . . . . 0.0 111.298 -179.705 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 164.71 159.98 11.76 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.57 -0.824 . . . . 0.0 112.37 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.83 -20.35 63.56 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.6 0.238 . . . . 0.0 111.077 179.072 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -115.02 12.04 16.62 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.74 -179.726 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.48 ' HA3' HG12 ' A' ' 69' ' ' VAL . . . -94.58 -165.2 35.98 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.297 -0.954 . . . . 0.0 113.102 -179.5 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -142.22 154.69 44.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.953 0.406 . . . . 0.0 111.199 -179.521 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.46 HD12 ' N ' ' A' ' 75' ' ' LEU . 0.6 OUTLIER -116.79 138.82 51.22 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.711 178.905 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 15.7 p -83.16 -170.87 3.25 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.731 0.301 . . . . 0.0 110.861 -179.559 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -75.82 -52.79 9.62 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.097 0.475 . . . . 0.0 110.699 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -56.31 -31.86 64.09 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.793 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.692 ' O ' HG23 ' A' ' 83' ' ' VAL . 2.4 mm100 -71.61 -46.07 60.26 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.014 0.435 . . . . 0.0 110.689 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.408 ' CE2' HD23 ' A' ' 9' ' ' LEU . 24.6 t80 -50.64 -54.76 20.36 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.069 179.525 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.644 HG23 HD13 ' A' ' 9' ' ' LEU . 5.5 mt -54.85 -57.4 6.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.58 -0.736 . . . . 0.0 112.027 -179.463 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -52.25 -53.39 44.46 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.821 0.343 . . . . 0.0 111.197 -179.119 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.692 HG23 ' O ' ' A' ' 79' ' ' GLN . 4.2 t -67.82 -43.42 86.2 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.226 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.43 -179.429 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 97.3 m -61.59 -43.48 98.78 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 179.759 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -47.84 -50.13 27.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.014 179.614 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -61.15 -35.75 77.92 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.044 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.72 -49.18 78.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.953 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.759 HG21 ' OD1' ' A' ' 164' ' ' ASP . 21.5 mm -75.04 -36.86 39.52 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-O 120.902 0.382 . . . . 0.0 111.091 179.563 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -88.9 -83.36 0.23 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.213 179.707 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.408 ' O ' ' HB2' ' A' ' 91' ' ' GLN . 0.0 OUTLIER -61.0 -155.67 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.504 179.656 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.408 ' HB2' ' O ' ' A' ' 90' ' ' GLU . 71.5 mm-40 66.83 150.94 0.06 Allowed 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.528 -179.774 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -85.77 155.07 28.76 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.613 -0.803 . . . . 0.0 113.636 -178.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -51.77 -57.19 9.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.207 0.527 . . . . 0.0 110.207 179.559 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.83 -12.76 18.96 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.92 179.519 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.454 ' O ' HG12 ' A' ' 99' ' ' VAL . 1.5 t -72.42 -42.33 65.24 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.864 0.364 . . . . 0.0 110.61 -179.762 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.694 ' CE1' HD22 ' A' ' 100' ' ' LEU . 1.0 OUTLIER -67.62 -44.32 78.29 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.92 179.501 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -67.32 -38.8 85.52 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.437 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 37.1 mtt180 -63.58 -61.69 2.16 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.585 -179.148 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.454 HG12 ' O ' ' A' ' 95' ' ' SER . 9.3 p -71.26 -39.38 72.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 N-CA-C 112.472 0.545 . . . . 0.0 112.472 -177.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.694 HD22 ' CE1' ' A' ' 96' ' ' PHE . 2.6 tp -85.9 -26.32 25.66 Favored 'General case' 0 C--N 1.32 -0.706 0 C-N-CA 119.923 -0.711 . . . . 0.0 111.575 -177.869 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.445 ' N ' ' HD2' ' A' ' 102' ' ' PRO . . . -40.32 -56.98 2.74 Favored Glycine 0 CA--C 1.522 0.521 0 C-N-CA 120.999 -0.619 . . . . 0.0 112.818 179.354 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.445 ' HD2' ' N ' ' A' ' 101' ' ' GLY . 60.0 Cg_endo -69.18 -11.46 31.65 Favored 'Trans proline' 0 CA--C 1.53 0.3 0 C-N-CA 122.549 2.166 . . . . 0.0 112.72 179.594 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 89.7 t -79.66 -54.9 10.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.793 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.636 ' O ' HG23 ' A' ' 108' ' ' VAL . 94.0 t -68.19 -32.52 56.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 121.158 0.504 . . . . 0.0 110.239 178.877 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.436 ' HG3' ' O ' ' A' ' 101' ' ' GLY . 9.6 mttm -55.31 -52.28 63.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.58 179.414 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -48.96 -37.36 22.19 Favored Glycine 0 N--CA 1.451 -0.363 0 CA-C-N 115.872 -0.604 . . . . 0.0 112.569 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.87 HG21 ' CZ2' ' A' ' 127' ' ' TRP . 18.7 mm -72.64 -39.11 60.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.714 0.292 . . . . 0.0 110.98 179.641 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.636 HG23 ' O ' ' A' ' 104' ' ' VAL . 12.8 t -64.79 -36.85 78.65 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.228 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -63.19 -38.35 96.37 Favored Glycine 0 C--N 1.33 0.234 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.871 -179.395 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' MET . . . . . 0.426 ' HG3' ' HG2' ' A' ' 48' ' ' GLU . 45.9 mtp -78.53 -24.56 45.65 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.649 0.261 . . . . 0.0 110.654 -179.799 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 42.2 t -98.31 -25.02 14.98 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 113.104 0.779 . . . . 0.0 113.104 -178.053 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ASP . . . . . 0.544 ' CG ' HG12 ' A' ' 108' ' ' VAL . 21.7 m-20 -61.35 103.37 0.3 Allowed 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.274 -0.57 . . . . 0.0 110.853 -177.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.09 -20.92 26.41 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.978 179.516 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 20.0 p30 -106.56 -2.0 22.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.517 -0.311 . . . . 0.0 111.317 179.601 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . 49.51 57.24 6.72 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 111.679 0.251 . . . . 0.0 111.679 179.603 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 38.6 p-10 -116.25 -7.91 11.75 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.965 -0.294 . . . . 0.0 111.36 178.756 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 79.29 9.64 86.79 Favored Glycine 0 C--N 1.336 0.574 0 C-N-CA 120.861 -0.685 . . . . 0.0 113.159 179.401 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -124.2 168.65 12.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.891 0.376 . . . . 0.0 111.16 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.718 HG13 HD11 ' A' ' 158' ' ' LEU . 27.9 mm -108.5 100.88 11.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.819 -179.396 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -83.51 159.95 21.59 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 179.193 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -52.13 -37.53 54.61 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.92 -0.312 . . . . 0.0 111.197 -178.771 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -72.16 -23.47 61.29 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 178.631 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -83.12 -49.87 9.05 Favored 'General case' 0 C--O 1.232 0.159 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 178.476 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' PHE . . . . . 0.531 ' CE2' HD11 ' A' ' 128' ' ' LEU . 4.3 t80 -56.29 -49.75 73.35 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.792 179.773 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.692 ' O ' HG23 ' A' ' 129' ' ' THR . . . -57.55 -43.59 84.56 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.092 179.784 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -57.85 -37.12 73.31 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.933 -179.74 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' TRP . . . . . 0.87 ' CZ2' HG21 ' A' ' 107' ' ' ILE . 13.3 t90 -82.51 -42.31 18.58 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 111.816 0.302 . . . . 0.0 111.816 -178.66 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.541 HD12 ' HA ' ' A' ' 138' ' ' ALA . 31.8 mt -59.18 -38.32 79.52 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.935 0.398 . . . . 0.0 110.548 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 129' ' ' THR . . . . . 0.692 HG23 ' O ' ' A' ' 125' ' ' ALA . 49.9 p -70.32 -24.85 63.07 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.113 179.467 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -66.57 -37.99 86.12 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.739 179.743 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 31.5 mt -84.15 1.63 43.45 Favored 'General case' 0 N--CA 1.463 0.198 0 N-CA-C 112.908 0.707 . . . . 0.0 112.908 -177.511 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 105.12 19.95 10.23 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 119.924 -1.131 . . . . 0.0 113.681 178.674 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' MET . . . . . . . . . . . . . 4.8 mmt -96.87 155.89 16.58 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 178.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.56 172.12 14.16 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.092 0.472 . . . . 0.0 111.737 -179.015 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 4.4 mttm -77.63 -26.74 50.78 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.856 -179.447 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -81.13 -29.69 34.71 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 111.896 0.332 . . . . 0.0 111.896 -179.542 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.26 -38.62 71.86 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.397 -179.419 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 138' ' ' ALA . . . . . 0.541 ' HA ' HD12 ' A' ' 128' ' ' LEU . . . -59.73 -54.57 44.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.819 0.342 . . . . 0.0 110.617 -179.817 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -47.32 -44.16 23.4 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.953 179.604 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -70.88 -44.66 65.85 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.149 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 141' ' ' ALA . . . . . 0.402 ' O ' HG23 ' A' ' 145' ' ' VAL . . . -63.83 -39.94 95.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.841 -0.618 . . . . 0.0 112.025 -179.134 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 142' ' ' PHE . . . . . 0.468 ' CE1' ' HG ' ' A' ' 153' ' ' LEU . 76.0 t80 -54.59 -58.37 7.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.919 0.39 . . . . 0.0 110.655 179.437 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -56.56 -33.69 66.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.823 -179.69 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 144' ' ' GLN . . . . . 0.572 ' HB3' HD21 ' A' ' 170' ' ' LEU . 8.6 mt-30 -65.55 -36.96 85.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.056 -0.52 . . . . 0.0 112.284 -178.782 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 0.491 ' O ' ' N ' ' A' ' 147' ' ' THR . 33.3 t -82.57 -28.74 8.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -178.129 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -61.26 77.79 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.266 0 CA-C-O 121.325 0.583 . . . . 0.0 111.022 -179.276 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 147' ' ' THR . . . . . 0.491 ' N ' ' O ' ' A' ' 145' ' ' VAL . 90.0 m -56.39 -38.16 71.1 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.346 -0.843 . . . . 0.0 112.368 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 54.3 p30 -92.66 6.72 46.37 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.805 -178.584 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 39.0 36.43 0.49 Allowed Glycine 0 C--N 1.336 0.552 0 C-N-CA 121.317 -0.468 . . . . 0.0 113.643 179.242 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 48.2 p-10 -93.63 -4.36 50.88 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.638 0.256 . . . . 0.0 111.337 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 89.65 3.0 75.02 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.51 -0.852 . . . . 0.0 113.268 179.491 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -132.39 133.57 44.08 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 117.471 0.635 . . . . 0.0 110.225 179.71 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 0.468 ' HG ' ' CE1' ' A' ' 142' ' ' PHE . 24.8 mt -98.22 105.53 17.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.601 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 3.8 t -91.06 163.19 14.39 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.312 0.577 . . . . 0.0 112.514 -178.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 155' ' ' LEU . . . . . 0.686 HD13 HD21 ' A' ' 159' ' ' LEU . 0.2 OUTLIER -48.88 -43.38 38.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.179 -0.919 . . . . 0.0 111.361 179.768 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -56.67 -59.53 4.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.347 -179.56 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -64.05 -18.05 63.97 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.983 -179.068 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 158' ' ' LEU . . . . . 0.718 HD11 HG13 ' A' ' 119' ' ' ILE . 0.2 OUTLIER -70.56 -53.71 14.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.028 179.79 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.686 HD21 HD13 ' A' ' 155' ' ' LEU . 0.5 OUTLIER -60.02 -40.41 89.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.017 -179.38 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 160' ' ' THR . . . . . 0.415 ' O ' ' HB3' ' A' ' 163' ' ' ARG . 99.9 m -51.83 -60.24 3.4 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.079 -179.818 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -60.49 -53.52 56.5 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 179.519 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 162' ' ' VAL . . . . . 0.69 HG22 HG11 ' A' ' 172' ' ' VAL . 72.6 t -55.87 -37.47 47.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.917 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 163' ' ' ARG . . . . . 0.415 ' HB3' ' O ' ' A' ' 160' ' ' THR . 13.1 ttp180 -42.21 -81.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.729 -178.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 164' ' ' ASP . . . . . 0.759 ' OD1' HG21 ' A' ' 88' ' ' ILE . 0.7 OUTLIER -80.37 155.4 27.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.101 0.477 . . . . 0.0 111.657 -179.62 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 39.3 p90 176.59 34.55 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.988 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 16.8 m80 -112.91 -60.52 1.87 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.769 -179.604 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 167' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -83.84 11.08 8.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.298 179.367 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . 105.39 87.97 2.02 Favored Glycine 0 C--N 1.337 0.62 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.393 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 169' ' ' ARG . . . . . 0.472 ' HG2' ' HB3' ' A' ' 164' ' ' ASP . 0.0 OUTLIER -110.39 -50.96 2.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.782 0.325 . . . . 0.0 111.473 -179.578 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 170' ' ' LEU . . . . . 0.572 HD21 ' HB3' ' A' ' 144' ' ' GLN . 3.6 tp 179.85 179.51 0.52 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.209 -0.45 . . . . 0.0 109.937 -179.13 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -80.74 0.15 35.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.673 0.273 . . . . 0.0 111.33 179.716 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 172' ' ' VAL . . . . . 0.69 HG11 HG22 ' A' ' 162' ' ' VAL . 62.7 t -70.34 -80.96 0.03 OUTLIER 'Isoleucine or valine' 0 C--O 1.233 0.191 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.322 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 47.73 56.75 6.73 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.849 0.357 . . . . 0.0 110.934 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 174' ' ' LEU . . . . . 0.515 ' HB3' HG13 ' A' ' 162' ' ' VAL . 4.1 tt -91.01 147.82 22.82 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.57 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 175' ' ' LEU . . . . . . . . . . . . . 1.2 tt 177.47 74.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.336 179.663 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.093 0 CA-C-O 118.217 -1.324 . . . . 0.0 112.14 179.555 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 500' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 501' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 502' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.709 0.29 . . . . 0.0 111.005 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.0 p -57.62 142.96 43.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.981 0.419 . . . . 0.0 111.059 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -75.58 -3.43 34.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.663 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.404 ' O ' ' HD2' ' A' ' 8' ' ' ARG . 13.1 mt -79.71 -25.98 12.32 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-O 121.033 0.444 . . . . 0.0 111.037 179.682 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.43 ' O ' HD12 ' A' ' 9' ' ' LEU . . . -63.62 -38.12 89.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.796 -0.638 . . . . 0.0 112.253 -179.258 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.6 m -60.94 -56.0 26.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.741 0.305 . . . . 0.0 111.109 -179.621 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.94 -49.92 37.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.495 -179.509 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.404 ' HD2' ' O ' ' A' ' 4' ' ' ILE . 0.0 OUTLIER -62.26 -43.27 99.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.436 -179.044 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.472 HD22 ' HA ' ' A' ' 81' ' ' ILE . 0.5 OUTLIER -77.34 -32.91 55.5 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 111.872 0.323 . . . . 0.0 111.872 -178.878 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.68 -63.72 1.17 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.928 0.394 . . . . 0.0 111.081 -179.796 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.425 ' O ' ' HB2' ' A' ' 15' ' ' ARG . 0.2 OUTLIER -50.17 -47.49 54.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.218 -179.646 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.29 -29.78 4.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.785 0.326 . . . . 0.0 111.337 -179.745 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -73.12 -63.85 1.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.708 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 -68.82 -12.6 61.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.092 179.689 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.425 ' HB2' ' O ' ' A' ' 11' ' ' LYS . 0.1 OUTLIER -71.4 -18.22 62.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.566 0.222 . . . . 0.0 111.178 -179.537 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.454 ' CZ2' ' HA3' ' A' ' 176' ' ' GLY . 3.0 m95 -103.75 -91.66 0.36 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.647 -0.251 . . . . 0.0 111.095 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 41.68 75.84 0.08 Allowed 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 121.084 0.468 . . . . 0.0 111.465 -179.784 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.487 ' CE1' ' HB3' ' A' ' 31' ' ' LYS . 1.2 m-85 -54.46 -50.87 66.68 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.557 -179.05 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 22.3 p-10 -98.5 -12.3 21.41 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 -179.285 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 78.09 40.27 21.13 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.444 -0.884 . . . . 0.0 112.554 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.0 p-10 -89.66 -12.39 39.72 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.723 0.261 . . . . 0.0 111.387 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 84.17 22.32 54.95 Favored Glycine 0 C--N 1.332 0.348 0 C-N-CA 120.627 -0.797 . . . . 0.0 112.687 179.529 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -155.37 178.92 9.67 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.713 0.292 . . . . 0.0 110.403 179.685 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.418 HD12 ' HA ' ' A' ' 24' ' ' LEU . 12.7 tp -117.44 128.12 54.69 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.66 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 71.9 mt-10 -126.89 172.79 10.12 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.367 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.81 -33.42 74.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.806 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.01 -21.29 66.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.948 179.442 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.16 -28.99 63.59 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.088 179.465 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -78.59 -36.14 44.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.339 179.514 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -66.33 -38.74 88.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.663 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.487 ' HB3' ' CE1' ' A' ' 18' ' ' PHE . 4.9 mttm -67.44 -43.62 80.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.907 0.384 . . . . 0.0 110.544 179.656 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.4 ' O ' HG13 ' A' ' 36' ' ' ILE . 2.9 tt0 -49.06 -64.92 0.67 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.138 179.744 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -43.6 -46.55 7.25 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.202 0.525 . . . . 0.0 110.858 179.082 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -64.24 -54.79 27.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.786 179.615 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -52.51 -34.36 49.32 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.791 0.329 . . . . 0.0 110.518 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.4 HG13 ' O ' ' A' ' 32' ' ' GLU . 84.3 mt -71.14 -55.51 13.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.576 179.358 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -42.56 -42.23 3.3 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.725 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -58.6 -40.9 84.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.553 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.608 ' HB1' ' O ' ' A' ' 130' ' ' ALA . . . -57.04 -21.47 31.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.397 -179.542 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.401 ' CZ ' ' HA ' ' A' ' 127' ' ' TRP . 26.3 m-85 -92.63 1.8 57.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.68 -0.236 . . . . 0.0 111.375 179.651 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 53.54 19.64 9.77 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.826 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.7 tttt -92.55 -152.52 0.32 Allowed 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 179.564 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.43 ' HB2' ' HB2' ' A' ' 46' ' ' ALA . 8.3 m-20 -69.18 -166.97 0.1 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.074 0.464 . . . . 0.0 111.886 -178.578 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.89 ' O ' HG11 ' A' ' 49' ' ' VAL . . . -140.21 -59.25 0.54 Allowed 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 178.386 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -92.87 27.04 11.78 Favored Glycine 0 N--CA 1.45 -0.404 0 CA-C-N 114.905 -1.043 . . . . 0.0 111.969 179.54 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.43 ' HB2' ' HB2' ' A' ' 43' ' ' ASP . . . -68.25 -166.15 0.06 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.828 0.347 . . . . 0.0 110.943 179.092 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -89.52 -47.99 7.61 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.034 179.664 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -57.5 -28.33 63.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.447 -179.129 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.89 HG11 ' O ' ' A' ' 44' ' ' ALA . 7.3 p -77.32 -42.24 30.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.691 179.732 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.42 ' O ' ' HB2' ' A' ' 54' ' ' ASN . 1.0 OUTLIER -61.4 -42.91 99.47 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 178.713 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 15.7 m -58.57 -54.99 40.86 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.947 -0.569 . . . . 0.0 109.746 178.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 11.2 tp -50.8 -62.49 1.57 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.192 179.634 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.48 -42.0 61.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.716 179.52 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.42 ' HB2' ' O ' ' A' ' 50' ' ' GLN . 6.5 t-20 -56.39 -41.4 76.22 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.925 0.393 . . . . 0.0 110.174 179.808 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.42 -32.51 72.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.046 179.584 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -67.11 -31.86 72.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.82 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -64.75 -48.06 76.49 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.185 179.746 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -58.69 -34.96 79.25 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.623 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.573 HD12 HG12 ' A' ' 99' ' ' VAL . 2.9 tp -56.28 -32.34 64.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.892 0.377 . . . . 0.0 110.023 179.775 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -63.02 -44.76 95.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.398 179.167 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -43.16 -50.62 6.26 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.525 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -58.35 -41.34 84.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.12 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.567 ' HB3' HD21 ' A' ' 75' ' ' LEU . 23.3 mt -64.8 -57.57 8.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.188 -179.413 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.608 ' HB1' ' O ' ' A' ' 69' ' ' VAL . . . -54.18 -45.44 72.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.574 179.779 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 9.9 tttp -65.72 -51.72 56.99 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.856 0.36 . . . . 0.0 110.969 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -62.53 -40.61 97.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.112 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -77.13 -26.82 53.56 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.804 0.335 . . . . 0.0 111.601 -179.577 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 103.62 0.24 46.21 Favored Glycine 0 CA--C 1.52 0.35 0 C-N-CA 120.525 -0.845 . . . . 0.0 114.154 178.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.608 ' O ' ' HB1' ' A' ' 64' ' ' ALA . 26.9 m -101.44 174.09 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 117.277 0.538 . . . . 0.0 110.067 179.345 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -86.73 179.27 48.87 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.689 -0.767 . . . . 0.0 113.845 -178.479 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 16.2 m -65.12 -13.07 57.18 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.249 -0.476 . . . . 0.0 110.962 178.158 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -113.02 12.58 19.27 Favored 'General case' 0 N--CA 1.462 0.146 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 -179.401 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -93.21 -164.53 37.49 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.344 -0.931 . . . . 0.0 112.307 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -141.58 154.41 45.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.155 0.502 . . . . 0.0 111.804 -179.232 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.567 HD21 ' HB3' ' A' ' 63' ' ' LEU . 3.4 mp -116.04 138.74 50.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.357 179.559 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 6.7 p -86.65 -173.82 4.68 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.676 179.64 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -72.65 -48.74 36.81 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.991 0.424 . . . . 0.0 110.742 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -58.04 -32.77 68.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.878 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -72.46 -43.12 64.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.978 0.418 . . . . 0.0 110.255 179.389 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -49.96 -55.7 13.55 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.727 179.479 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.472 ' HA ' HD22 ' A' ' 9' ' ' LEU . 71.9 mt -54.54 -52.13 43.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.312 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.15 -55.32 32.53 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.011 -0.541 . . . . 0.0 112.007 -178.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 11.9 t -71.74 -40.96 70.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 N-CA-C 111.752 0.279 . . . . 0.0 111.752 -179.258 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 94.6 m -62.27 -45.09 94.84 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.937 0.398 . . . . 0.0 110.48 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -50.96 -49.14 60.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.296 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 29.0 m-80 -59.06 -37.54 77.27 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.137 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.9 mt -59.69 -45.46 92.03 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.218 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 16.8 mm -73.11 -42.47 58.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.444 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -89.95 -75.0 0.46 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.775 0.321 . . . . 0.0 111.184 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.407 ' O ' ' HB2' ' A' ' 91' ' ' GLN . 21.3 mm-40 -64.1 -161.97 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.019 -179.752 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.407 ' HB2' ' O ' ' A' ' 90' ' ' GLU . 0.6 OUTLIER 71.07 -83.48 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.396 -179.617 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 127.55 172.27 13.21 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.253 -0.975 . . . . 0.0 113.04 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -55.31 -58.84 6.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.124 0.487 . . . . 0.0 111.032 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.433 ' O ' ' HB2' ' A' ' 98' ' ' ARG . . . -59.78 -16.86 31.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.562 -0.745 . . . . 0.0 112.209 -179.326 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.407 ' HB2' ' HB3' ' A' ' 91' ' ' GLN . 60.5 m -79.63 -44.94 20.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.974 0.416 . . . . 0.0 110.806 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.415 ' CE1' HD22 ' A' ' 100' ' ' LEU . 0.2 OUTLIER -71.31 -38.79 71.72 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.139 179.945 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -68.8 -35.2 76.72 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.9 -0.591 . . . . 0.0 112.016 -179.6 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.433 ' HB2' ' O ' ' A' ' 94' ' ' ALA . 0.3 OUTLIER -63.05 -66.81 0.49 Allowed 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.064 0.394 . . . . 0.0 112.064 -179.045 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.573 HG12 HD12 ' A' ' 59' ' ' LEU . 46.7 t -69.2 -35.88 70.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 112.683 0.623 . . . . 0.0 112.683 -178.071 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.415 HD22 ' CE1' ' A' ' 96' ' ' PHE . 8.3 tp -89.1 -26.47 21.34 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 119.815 -0.754 . . . . 0.0 111.948 -178.166 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.479 ' N ' ' HD2' ' A' ' 102' ' ' PRO . . . -42.25 -53.83 4.77 Favored Glycine 0 CA--C 1.522 0.51 0 C-N-CA 120.926 -0.654 . . . . 0.0 112.987 179.488 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.479 ' HD2' ' N ' ' A' ' 101' ' ' GLY . 57.1 Cg_endo -70.52 -14.02 33.28 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.649 2.233 . . . . 0.0 112.081 179.596 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.512 HG21 HD13 ' A' ' 59' ' ' LEU . 41.4 t -78.39 -49.32 21.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.724 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.637 ' CG1' HD22 ' A' ' 158' ' ' LEU . 10.4 t -70.54 -31.99 48.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.174 0.511 . . . . 0.0 110.3 179.305 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.24 -50.59 72.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.763 179.264 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -51.35 -39.99 44.87 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.246 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 24.4 mt -72.76 -41.0 61.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.761 0.315 . . . . 0.0 111.058 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.664 HG13 HD11 ' A' ' 119' ' ' ILE . 76.0 t -63.08 -36.18 74.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.119 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -51.79 -46.65 54.4 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.354 -0.927 . . . . 0.0 112.293 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 23.3 mtm -78.14 -19.4 54.1 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.455 0.169 . . . . 0.0 111.402 -179.638 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 34.9 t -92.6 44.72 1.16 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.866 0.365 . . . . 0.0 111.713 -178.556 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 54.5 t0 -165.98 108.64 0.77 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.687 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 3.0 mtmt -93.07 -4.33 52.61 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 115.527 -0.76 . . . . 0.0 111.196 178.41 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' ASN . . . . . 0.447 ' O ' ' HB3' ' A' ' 115' ' ' ALA . 0.8 OUTLIER -102.73 -17.68 15.51 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-O 120.706 0.289 . . . . 0.0 110.929 179.593 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.447 ' HB3' ' O ' ' A' ' 114' ' ' ASN . . . 68.68 62.94 0.33 Allowed 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 112.265 0.469 . . . . 0.0 112.265 178.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -119.82 -13.8 9.04 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 121.019 -0.272 . . . . 0.0 111.613 179.43 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 80.54 9.41 86.48 Favored Glycine 0 CA--C 1.519 0.298 0 C-N-CA 120.714 -0.755 . . . . 0.0 113.112 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 15.0 mm-40 -122.92 164.32 18.7 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-O 121.092 0.472 . . . . 0.0 111.459 -179.714 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.664 HD11 HG13 ' A' ' 108' ' ' VAL . 19.7 mm -109.89 100.9 11.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.15 -179.481 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' ASN . . . . . 0.414 ' O ' ' N ' ' A' ' 123' ' ' GLU . 6.5 m120 -86.73 157.51 19.62 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 110.106 -0.331 . . . . 0.0 110.106 179.436 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -47.87 -38.69 16.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.672 -179.032 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -70.48 -26.75 63.76 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 179.23 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 120' ' ' ASN . 20.7 mt-10 -85.76 -47.53 9.66 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 178.62 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -54.82 -51.43 65.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.811 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.412 ' HA ' ' HB1' ' A' ' 138' ' ' ALA . . . -58.48 -40.47 82.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.816 179.723 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -54.83 -33.34 61.57 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.297 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' TRP . . . . . 0.401 ' HA ' ' CZ ' ' A' ' 40' ' ' PHE . 18.6 t90 -88.18 -36.91 16.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.642 -0.254 . . . . 0.0 111.547 -178.836 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.28 -42.0 98.96 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.072 0.463 . . . . 0.0 110.156 179.806 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 129' ' ' THR . . . . . 0.416 ' HA ' ' O ' ' A' ' 133' ' ' MET . 70.8 p -72.35 -22.62 61.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.296 178.686 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 130' ' ' ALA . . . . . 0.608 ' O ' ' HB1' ' A' ' 39' ' ' ALA . . . -67.84 -38.47 83.22 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.315 179.601 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 9.4 mt -85.54 -0.19 54.28 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 112.524 0.565 . . . . 0.0 112.524 -178.235 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 108.59 22.53 6.99 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 119.93 -1.129 . . . . 0.0 113.921 179.09 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' MET . . . . . 0.416 ' O ' ' HA ' ' A' ' 129' ' ' THR . 8.0 mmt -99.17 155.35 17.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 117.361 0.58 . . . . 0.0 109.823 178.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 54.5 m -81.48 161.69 23.55 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.756 0.312 . . . . 0.0 110.95 -179.551 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -66.96 -21.99 65.95 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.952 -179.174 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -83.64 -30.04 27.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.639 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.65 -35.22 70.3 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.396 -179.558 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 138' ' ' ALA . . . . . 0.412 ' HB1' ' HA ' ' A' ' 125' ' ' ALA . . . -59.56 -56.86 16.66 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.027 0.441 . . . . 0.0 110.413 179.767 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -47.61 -41.85 22.83 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.414 179.392 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -70.26 -48.23 57.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.752 -179.456 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 141' ' ' ALA . . . . . 0.83 ' O ' HG23 ' A' ' 145' ' ' VAL . . . -63.48 -36.16 82.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.937 0.398 . . . . 0.0 111.719 -179.378 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 83.1 t80 -54.85 -60.74 2.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.823 179.515 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 20.8 m-20 -55.67 -35.44 66.0 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.535 -0.757 . . . . 0.0 112.215 -179.184 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 144' ' ' GLN . . . . . 0.703 ' CB ' HD13 ' A' ' 170' ' ' LEU . 39.7 mt-30 -66.78 -32.36 73.59 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 -179.071 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 0.83 HG23 ' O ' ' A' ' 141' ' ' ALA . 3.5 t -85.02 -35.8 10.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 112.838 0.681 . . . . 0.0 112.838 -178.131 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 146' ' ' ASP . . . . . 0.408 ' N ' HD21 ' A' ' 153' ' ' LEU . 0.6 OUTLIER -61.81 79.91 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.265 0.555 . . . . 0.0 111.311 -179.251 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 147' ' ' THR . . . . . 0.433 ' N ' ' O ' ' A' ' 145' ' ' VAL . 0.2 OUTLIER -56.85 -31.62 64.98 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.27 -0.877 . . . . 0.0 112.668 179.598 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -95.88 6.6 48.5 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.41 0.522 . . . . 0.0 112.41 -178.082 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 40.23 29.07 0.19 Allowed Glycine 0 C--N 1.332 0.359 0 C-N-CA 120.986 -0.626 . . . . 0.0 113.195 179.614 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 45.4 p-10 -88.88 -4.22 58.53 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.633 0.254 . . . . 0.0 111.176 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 87.31 6.04 78.69 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.641 -0.79 . . . . 0.0 113.489 179.097 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -135.36 134.92 40.27 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 117.627 0.713 . . . . 0.0 110.792 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 0.425 ' HB2' ' HB ' ' A' ' 119' ' ' ILE . 56.2 mt -101.02 105.63 16.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.291 179.016 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 27.0 t -88.35 165.84 14.69 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.706 -179.1 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 81.6 mt -48.23 -44.35 33.05 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.71 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 156' ' ' ASP . . . . . 0.419 ' O ' HG23 ' A' ' 160' ' ' THR . 4.6 t0 -57.35 -51.55 68.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.244 0.545 . . . . 0.0 110.831 179.475 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -64.98 -15.03 61.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.41 -0.814 . . . . 0.0 112.472 -178.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 158' ' ' LEU . . . . . 0.637 HD22 ' CG1' ' A' ' 104' ' ' VAL . 0.2 OUTLIER -75.54 -39.53 58.13 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.173 179.553 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.614 ' N ' HD23 ' A' ' 159' ' ' LEU . 0.2 OUTLIER -73.36 -31.43 63.93 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.899 0.381 . . . . 0.0 110.643 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 160' ' ' THR . . . . . 0.419 HG23 ' O ' ' A' ' 156' ' ' ASP . 49.8 p -53.82 -23.28 11.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.566 179.589 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 161' ' ' ALA . . . . . 0.679 ' HB1' HG11 ' A' ' 172' ' ' VAL . . . -65.26 -58.28 6.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.537 179.035 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 162' ' ' VAL . . . . . 0.494 HG22 ' HB3' ' A' ' 174' ' ' LEU . 3.8 t -54.08 -22.97 8.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.723 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 24.8 ttm180 -37.04 -36.12 0.12 Allowed 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 -179.069 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -159.5 77.11 0.69 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.723 0.297 . . . . 0.0 111.243 -179.543 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 165' ' ' PHE . . . . . 0.45 ' CE2' HG13 ' A' ' 162' ' ' VAL . 20.3 p90 -109.3 -28.53 8.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.693 179.511 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -72.86 -18.6 61.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.393 179.001 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 167' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -104.43 -17.88 14.61 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.719 179.316 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . 125.56 103.61 1.41 Allowed Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.268 -179.614 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 169' ' ' ARG . . . . . 0.604 ' CZ ' HD21 ' A' ' 170' ' ' LEU . 0.0 OUTLIER -100.91 -78.65 0.52 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.869 0.366 . . . . 0.0 110.984 -179.815 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 170' ' ' LEU . . . . . 0.703 HD13 ' CB ' ' A' ' 144' ' ' GLN . 0.0 OUTLIER -170.21 -81.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.479 179.906 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 171' ' ' ASP . . . . . 0.453 ' HB3' ' HB2' ' A' ' 141' ' ' ALA . 0.8 OUTLIER -156.41 31.66 0.33 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.26 -179.678 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 172' ' ' VAL . . . . . 0.679 HG11 ' HB1' ' A' ' 161' ' ' ALA . 7.3 p -112.15 -48.91 6.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.196 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 173' ' ' GLU . . . . . 0.514 ' N ' HG13 ' A' ' 172' ' ' VAL . 0.9 OUTLIER 64.35 -73.25 0.05 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.883 179.916 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 174' ' ' LEU . . . . . 0.494 ' HB3' HG22 ' A' ' 162' ' ' VAL . 0.2 OUTLIER 72.96 46.22 0.26 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.062 179.665 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 175' ' ' LEU . . . . . . . . . . . . . 7.3 tp -159.65 -67.9 0.08 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.775 0.321 . . . . 0.0 111.057 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 176' ' ' GLY . . . . . 0.454 ' HA3' ' CZ2' ' A' ' 16' ' ' TRP . . . . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.458 -1.19 . . . . 0.0 112.55 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 500' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 501' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 502' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 43.8 p . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.711 0.291 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER 59.03 23.85 12.03 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.976 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -58.24 111.19 1.12 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.969 0.414 . . . . 0.0 111.328 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.3 mt -77.35 -35.34 22.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.667 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.61 -34.69 78.38 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.975 -179.223 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -57.81 -46.7 84.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.824 0.345 . . . . 0.0 111.048 -179.603 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.44 -46.71 89.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.561 -179.719 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -60.9 -48.75 80.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.594 -179.061 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.941 HD11 ' CE1' ' A' ' 166' ' ' HIS . 47.8 mt -77.49 -29.72 52.71 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 121.043 -0.263 . . . . 0.0 111.514 -179.264 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.95 -50.86 72.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.809 0.338 . . . . 0.0 111.015 -179.287 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 42.6 mttm -62.61 -44.99 94.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.05 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.01 -28.53 2.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.779 0.323 . . . . 0.0 111.331 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -74.54 -61.96 1.69 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.909 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -68.17 -21.42 64.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.902 0.382 . . . . 0.0 110.575 179.479 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.42 -16.54 60.33 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.48 -179.74 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 2.2 m0 -111.18 18.14 19.64 Favored 'General case' 0 C--N 1.333 -0.135 0 N-CA-C 112.11 0.411 . . . . 0.0 112.11 -179.157 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -80.36 81.01 6.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.917 0.389 . . . . 0.0 110.773 179.646 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -54.77 -51.99 63.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.551 -179.239 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.405 ' OD1' ' N ' ' A' ' 19' ' ' ASP . 7.8 p-10 -96.57 -12.75 23.59 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.548 0.213 . . . . 0.0 111.466 -179.603 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.36 43.03 21.39 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.535 -0.84 . . . . 0.0 111.899 -179.577 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.413 ' OD1' ' N ' ' A' ' 21' ' ' ASN . 9.1 p-10 -92.22 -11.58 35.02 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 111.6 0.222 . . . . 0.0 111.6 -179.543 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 83.66 21.0 58.85 Favored Glycine 0 C--N 1.331 0.295 0 C-N-CA 120.551 -0.833 . . . . 0.0 112.326 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.521 ' HB1' ' HB2' ' A' ' 74' ' ' SER . . . -155.28 178.36 10.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.716 0.293 . . . . 0.0 110.676 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 19.7 mt -118.65 124.09 46.54 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.783 179.715 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -119.48 173.47 6.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.042 0.449 . . . . 0.0 110.393 179.607 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 32.8 ttp180 -69.59 -32.51 71.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.052 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.29 -18.82 65.58 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.048 179.556 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.3 -31.46 67.48 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 179.318 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -78.91 -41.33 29.84 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.217 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -61.99 -39.75 93.28 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 179.545 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.36 -42.18 88.43 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.106 0.479 . . . . 0.0 109.846 179.08 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.425 ' O ' HG12 ' A' ' 36' ' ' ILE . 1.3 tt0 -52.04 -63.01 1.28 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.139 179.409 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -44.39 -49.23 9.75 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.88 0.371 . . . . 0.0 111.265 179.63 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.35 -49.5 75.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.421 179.807 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 17.2 t60 -54.26 -23.97 16.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.905 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.425 HG12 ' O ' ' A' ' 32' ' ' GLU . 14.2 mm -82.92 -50.93 15.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.016 179.79 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -46.27 -43.75 15.91 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 120.935 0.398 . . . . 0.0 111.124 179.56 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -61.02 -41.96 97.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.398 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.58 -29.34 69.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.79 0.329 . . . . 0.0 110.846 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.417 ' CE2' ' SG ' ' A' ' 111' ' ' CYS . 2.3 m-85 -91.82 4.9 51.82 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.62 -179.772 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 70.35 20.61 76.96 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.365 -0.922 . . . . 0.0 111.982 -179.282 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -88.73 -179.2 5.95 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.113 0.482 . . . . 0.0 111.248 -179.461 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.426 ' OD1' ' N ' ' A' ' 43' ' ' ASP . 0.4 OUTLIER -70.53 -154.9 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.971 -179.666 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -138.62 -61.69 0.58 Allowed 'General case' 0 N--CA 1.456 -0.174 0 N-CA-C 108.415 -0.958 . . . . 0.0 108.415 178.043 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -96.76 23.06 37.09 Favored Glycine 0 N--CA 1.451 -0.334 0 CA-C-N 115.105 -0.952 . . . . 0.0 112.206 179.317 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.16 -166.12 0.29 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 117.068 0.434 . . . . 0.0 111.117 179.296 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -83.14 -55.39 4.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.901 0.381 . . . . 0.0 110.067 178.675 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -50.79 -42.31 57.89 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.698 -179.412 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 20.4 t -77.07 -39.05 28.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 110.148 -0.316 . . . . 0.0 110.148 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.16 -40.93 95.72 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 178.479 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.2 m -58.1 -57.64 11.95 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.411 179.178 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.409 HD11 ' CE2' ' A' ' 56' ' ' PHE . 13.1 tp -51.2 -58.27 6.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.31 -179.771 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.84 -40.52 56.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.765 -0.198 . . . . 0.0 110.776 179.717 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 49.2 t-20 -57.75 -40.4 79.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.999 0.428 . . . . 0.0 110.041 179.67 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.93 -46.28 68.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.528 179.227 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.409 ' CE2' HD11 ' A' ' 52' ' ' LEU . 2.5 m-85 -54.53 -32.32 57.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.719 179.714 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -62.39 -51.5 55.91 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.545 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -63.14 -26.81 69.63 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.48 -0.866 . . . . 0.0 112.401 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 7.8 tt -58.31 -42.56 86.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.868 0.366 . . . . 0.0 110.521 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.479 ' HA ' HD12 ' A' ' 63' ' ' LEU . 31.5 t80 -60.97 -40.19 92.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.135 179.349 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -42.91 -49.3 5.92 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.254 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.479 ' CE1' ' HG3' ' A' ' 66' ' ' GLU . 4.6 t80 -59.66 -36.43 76.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.637 179.703 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.501 ' HB3' HD11 ' A' ' 75' ' ' LEU . 74.2 mt -65.12 -54.67 26.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.452 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.81 ' HB1' ' O ' ' A' ' 69' ' ' VAL . . . -56.81 -49.24 75.98 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.171 -0.468 . . . . 0.0 112.117 179.409 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.21 -50.61 71.1 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.789 0.328 . . . . 0.0 111.204 -179.164 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.479 ' HG3' ' CE1' ' A' ' 62' ' ' TYR . 1.8 mm-40 -62.87 -40.43 97.49 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.184 179.738 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.423 ' CB ' ' CD2' ' A' ' 75' ' ' LEU . . . -79.14 -26.61 42.78 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 -179.288 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 103.4 4.73 46.63 Favored Glycine 0 CA--C 1.519 0.331 0 C-N-CA 120.5 -0.857 . . . . 0.0 113.704 179.297 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.81 ' O ' ' HB1' ' A' ' 64' ' ' ALA . 26.2 m -104.53 170.19 2.02 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.839 0.319 . . . . 0.0 110.21 179.469 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -88.4 -178.41 46.92 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.708 -0.758 . . . . 0.0 113.697 -178.795 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 18.1 m -64.12 -12.67 41.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.474 -0.363 . . . . 0.0 111.044 178.223 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -114.42 14.32 17.86 Favored 'General case' 0 CA--C 1.528 0.128 0 CA-C-O 120.498 0.19 . . . . 0.0 111.474 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -94.31 -167.12 36.91 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.565 -0.826 . . . . 0.0 112.762 -179.632 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.521 ' HB2' ' HB1' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -143.32 154.98 44.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.056 0.455 . . . . 0.0 111.688 -179.186 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.501 HD11 ' HB3' ' A' ' 63' ' ' LEU . 0.3 OUTLIER -117.99 139.99 50.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.121 179.078 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 59.1 p -84.5 -174.55 5.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.784 0.326 . . . . 0.0 111.242 -179.545 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -75.42 -50.95 14.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.086 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -56.73 -31.66 64.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.399 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -73.49 -43.67 59.58 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.548 179.493 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.473 ' CD1' ' OG1' ' A' ' 84' ' ' THR . 24.7 t80 -53.73 -54.42 38.31 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.928 179.627 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.724 ' HA ' HD13 ' A' ' 9' ' ' LEU . 74.7 mt -52.5 -52.27 27.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.559 -179.546 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -57.38 -54.67 44.22 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.871 -179.374 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 19.2 t -70.06 -40.43 78.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 111.875 0.324 . . . . 0.0 111.875 -178.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.473 ' OG1' ' CD1' ' A' ' 80' ' ' PHE . 61.8 m -62.66 -44.14 97.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.875 0.369 . . . . 0.0 110.273 179.721 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -51.82 -48.74 63.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.132 -179.695 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 13.6 m-80 -59.92 -36.51 77.17 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.762 179.511 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.462 HD22 ' CZ ' ' A' ' 96' ' ' PHE . 0.3 OUTLIER -60.88 -48.43 81.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.349 179.47 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.479 HG23 ' O ' ' A' ' 163' ' ' ARG . 7.9 mt -74.3 -39.23 48.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.066 179.799 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 32.2 m-85 -87.98 -81.33 0.25 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.092 -179.7 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.43 -158.94 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.792 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 74.34 136.94 0.06 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.976 0.417 . . . . 0.0 110.685 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -73.44 162.34 54.53 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.989 -179.629 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -57.63 -56.4 22.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.979 0.419 . . . . 0.0 111.093 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.407 ' O ' ' CG ' ' A' ' 98' ' ' ARG . . . -61.62 -11.48 11.66 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.676 0.621 . . . . 0.0 112.676 -179.476 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.02 -45.26 42.99 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.724 0.297 . . . . 0.0 110.87 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.462 ' CZ ' HD22 ' A' ' 87' ' ' LEU . 0.1 OUTLIER -69.7 -41.33 75.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.689 179.851 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 50.3 t30 -69.59 -35.13 75.04 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.084 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.407 ' CG ' ' O ' ' A' ' 94' ' ' ALA . 8.4 mmp_? -62.43 -56.92 13.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.393 -179.572 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.404 HG21 ' CD2' ' A' ' 62' ' ' TYR . 19.5 t -81.34 -35.74 14.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 112.868 0.692 . . . . 0.0 112.868 -178.134 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.574 ' O ' HG22 ' A' ' 103' ' ' VAL . 7.5 tp -88.54 -26.94 21.73 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 119.982 -0.687 . . . . 0.0 111.901 -177.864 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.511 ' N ' ' HD2' ' A' ' 102' ' ' PRO . . . -47.64 -52.86 14.23 Favored Glycine 0 CA--C 1.525 0.678 0 C-N-CA 120.72 -0.752 . . . . 0.0 113.434 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.511 ' HD2' ' N ' ' A' ' 101' ' ' GLY . 25.6 Cg_endo -63.61 -33.26 67.89 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.633 2.222 . . . . 0.0 114.1 -178.693 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.574 HG22 ' O ' ' A' ' 100' ' ' LEU . 15.1 m -72.48 -41.0 64.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 C-N-CA 120.149 -0.621 . . . . 0.0 111.348 -178.633 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 100' ' ' LEU . 11.5 t -69.03 -37.77 77.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 120.98 0.419 . . . . 0.0 110.011 178.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -57.51 -47.47 81.86 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.734 178.507 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -49.82 -30.24 14.61 Favored Glycine 0 N--CA 1.449 -0.434 0 CA-C-N 115.468 -0.787 . . . . 0.0 112.401 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 84.3 mt -72.85 -41.14 61.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 121.045 0.45 . . . . 0.0 110.418 179.569 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.427 ' O ' ' HB2' ' A' ' 112' ' ' ASP . 44.7 t -63.56 -39.89 87.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.635 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -60.83 -39.78 97.31 Favored Glycine 0 N--CA 1.453 -0.211 0 C-N-CA 120.629 -0.795 . . . . 0.0 112.798 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 8.1 ptm -77.44 -26.14 51.25 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.613 0.206 . . . . 0.0 111.502 -179.17 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' CYS . . . . . 0.437 ' O ' ' C ' ' A' ' 112' ' ' ASP . 3.1 m -97.81 -87.47 0.33 Allowed 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.632 0.605 . . . . 0.0 112.632 -178.362 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ASP . . . . . 0.437 ' C ' ' O ' ' A' ' 111' ' ' CYS . 5.8 t0 15.93 103.0 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 124.235 1.014 . . . . 0.0 112.83 -178.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 26.9 mttt -81.75 -8.68 59.72 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.952 -179.389 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 53.0 p30 -128.64 -0.76 5.48 Favored 'General case' 0 CA--C 1.53 0.193 0 N-CA-C 111.891 0.33 . . . . 0.0 111.891 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . 52.29 61.55 3.15 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.629 0.252 . . . . 0.0 111.073 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 52.1 p30 -121.65 -8.57 9.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.56 179.387 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 80.26 8.34 87.69 Favored Glycine 0 C--N 1.334 0.43 0 C-N-CA 120.823 -0.703 . . . . 0.0 113.137 179.706 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -121.99 165.73 15.56 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.957 0.408 . . . . 0.0 111.328 -179.696 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 39.4 mm -109.09 100.38 10.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.398 -179.279 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -86.49 156.05 20.27 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 178.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.541 ' HB2' ' CE2' ' A' ' 142' ' ' PHE . . . -47.22 -35.84 8.09 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 121.109 -0.236 . . . . 0.0 111.474 -179.048 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.51 -32.94 70.61 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.238 179.183 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -77.33 -47.02 21.04 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 179.08 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -56.39 -49.07 75.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.731 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -56.48 -44.69 80.88 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.775 -179.257 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -54.74 -31.98 59.15 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 112.331 0.493 . . . . 0.0 112.331 -179.181 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 13.7 t90 -88.69 -37.32 15.64 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 111.701 0.26 . . . . 0.0 111.701 -178.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.422 HD13 ' HA ' ' A' ' 138' ' ' ALA . 0.2 OUTLIER -61.16 -43.29 99.12 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.063 0.459 . . . . 0.0 110.337 179.731 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 129' ' ' THR . . . . . 0.431 ' HA ' ' O ' ' A' ' 133' ' ' MET . 1.6 m -73.31 -28.97 62.39 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.495 179.141 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.22 -36.23 82.97 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.412 179.691 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.562 HD13 ' H ' ' A' ' 176' ' ' GLY . 21.8 mt -82.92 -4.59 58.37 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.125 0.416 . . . . 0.0 112.125 -178.376 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 110.64 21.83 6.64 Favored Glycine 0 C--N 1.331 0.268 0 C-N-CA 120.024 -1.084 . . . . 0.0 113.655 179.068 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' MET . . . . . 0.431 ' O ' ' HA ' ' A' ' 129' ' ' THR . 7.2 mmt -99.24 155.75 17.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 117.021 0.411 . . . . 0.0 110.072 179.206 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 134' ' ' SER . . . . . 0.416 ' CB ' ' OE1' ' A' ' 137' ' ' GLU . 5.7 m -81.73 165.0 21.34 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.68 0.276 . . . . 0.0 110.874 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.06 -22.86 65.83 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.89 0.376 . . . . 0.0 111.151 -179.764 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -80.2 -26.32 39.26 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.138 179.415 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' GLU . . . . . 0.416 ' OE1' ' CB ' ' A' ' 134' ' ' SER . 2.2 mp0 -73.72 -38.24 64.87 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.635 -179.324 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 138' ' ' ALA . . . . . 0.422 ' HA ' HD13 ' A' ' 128' ' ' LEU . . . -59.78 -58.7 7.42 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.0 0.428 . . . . 0.0 110.729 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -47.77 -42.34 25.43 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.399 179.646 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.64 -50.12 47.29 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.78 -179.455 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 141' ' ' ALA . . . . . 0.584 ' O ' HG23 ' A' ' 145' ' ' VAL . . . -62.88 -37.2 85.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.954 0.407 . . . . 0.0 111.61 -179.153 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 142' ' ' PHE . . . . . 0.541 ' CE2' ' HB2' ' A' ' 121' ' ' ALA . 48.9 t80 -53.71 -60.1 3.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.708 179.504 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -58.1 -34.87 70.66 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.417 -0.811 . . . . 0.0 112.699 -179.418 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -66.47 -34.15 77.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.661 0.267 . . . . 0.0 111.663 -178.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 0.584 HG23 ' O ' ' A' ' 141' ' ' ALA . 23.7 t -84.38 -31.22 7.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 -178.641 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -61.55 78.55 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 121.329 0.585 . . . . 0.0 111.224 -178.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 147' ' ' THR . . . . . 0.457 ' N ' ' O ' ' A' ' 145' ' ' VAL . 65.1 m -56.99 -33.67 67.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.304 -0.862 . . . . 0.0 112.705 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 33.4 p30 -97.76 6.1 48.32 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -178.199 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 40.61 31.85 0.44 Allowed Glycine 0 C--N 1.333 0.392 0 C-N-CA 120.973 -0.632 . . . . 0.0 113.456 179.408 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 48.6 p-10 -88.68 -5.01 58.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.571 0.224 . . . . 0.0 111.086 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 88.49 3.96 77.39 Favored Glycine 0 C--N 1.334 0.433 0 C-N-CA 120.801 -0.714 . . . . 0.0 113.265 179.097 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -134.45 135.41 42.5 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 117.24 0.52 . . . . 0.0 110.899 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 0.459 HD23 ' HA ' ' A' ' 153' ' ' LEU . 11.6 mt -103.51 100.57 10.43 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.395 179.283 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 6.1 m -89.69 171.23 9.8 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.062 0.458 . . . . 0.0 111.938 -179.144 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 64.3 mt -49.45 -45.36 46.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.659 -0.7 . . . . 0.0 111.326 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.02 -51.67 68.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.108 0.48 . . . . 0.0 111.042 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -63.57 -19.8 65.12 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.732 -0.667 . . . . 0.0 112.643 -178.619 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.65 -29.99 65.24 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.169 179.778 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.586 ' O ' HG12 ' A' ' 162' ' ' VAL . 0.5 OUTLIER -77.26 -37.77 52.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.691 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 23.7 m -52.48 -25.84 11.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.35 179.478 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 161' ' ' ALA . . . . . 0.87 ' HB1' ' HB3' ' A' ' 173' ' ' GLU . . . -67.28 -64.08 0.93 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.625 178.881 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 162' ' ' VAL . . . . . 0.586 HG12 ' O ' ' A' ' 159' ' ' LEU . 7.7 p -53.37 -21.95 4.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.921 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 163' ' ' ARG . . . . . 0.479 ' O ' HG23 ' A' ' 88' ' ' ILE . 0.8 OUTLIER -39.0 -31.55 0.07 Allowed 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 -179.011 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 164' ' ' ASP . . . . . 0.407 ' O ' ' HG3' ' A' ' 169' ' ' ARG . 1.0 OUTLIER -162.69 139.66 7.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.023 0.439 . . . . 0.0 111.399 179.784 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 165' ' ' PHE . . . . . 0.465 ' O ' ' CD2' ' A' ' 165' ' ' PHE . 49.3 p90 -178.48 34.91 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.591 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 166' ' ' HIS . . . . . 0.941 ' CE1' HD11 ' A' ' 9' ' ' LEU . 16.3 m170 -100.71 -55.78 2.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.256 -179.612 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 167' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -89.2 64.93 7.15 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.061 -179.599 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . 51.57 91.26 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.334 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 169' ' ' ARG . . . . . 0.649 ' HD3' HD23 ' A' ' 170' ' ' LEU . 0.0 OUTLIER -78.2 -77.11 0.17 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.689 0.28 . . . . 0.0 111.094 -179.737 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 170' ' ' LEU . . . . . 0.649 HD23 ' HD3' ' A' ' 169' ' ' ARG . 0.0 OUTLIER -166.18 -88.86 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.887 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -121.5 35.59 4.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.718 0.294 . . . . 0.0 110.889 -179.492 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 16.9 t 66.41 101.21 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.753 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 173' ' ' GLU . . . . . 0.87 ' HB3' ' HB1' ' A' ' 161' ' ' ALA . 18.5 mp0 -61.33 -83.4 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.101 -179.791 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 174' ' ' LEU . . . . . 0.457 HD12 ' CG2' ' A' ' 162' ' ' VAL . 2.5 mt -60.13 -173.35 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.716 179.747 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 175' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -52.98 171.6 0.06 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.529 179.627 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 176' ' ' GLY . . . . . 0.562 ' H ' HD13 ' A' ' 131' ' ' LEU . . . . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.392 -1.227 . . . . 0.0 112.504 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 500' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 501' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 502' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 7.0 m . . . . . 0 N--CA 1.487 1.412 0 CA-C-O 120.898 0.38 . . . . 0.0 111.239 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.402 ' O ' ' HB2' ' A' ' 3' ' ' ALA . 0.2 OUTLIER 69.3 -65.79 0.28 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.182 179.872 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.402 ' HB2' ' O ' ' A' ' 2' ' ' THR . . . 178.64 173.79 0.68 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.937 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.1 mp -80.62 -29.6 11.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.226 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.06 -33.53 76.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.03 -0.532 . . . . 0.0 112.403 -179.182 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.11 -49.17 78.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.035 0.445 . . . . 0.0 110.708 -179.821 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -54.33 -46.94 72.98 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.331 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.409 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -62.36 -48.35 80.16 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.792 -179.232 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.531 HD13 HG23 ' A' ' 81' ' ' ILE . 35.9 mt -74.98 -39.38 61.31 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.924 -0.31 . . . . 0.0 111.522 -178.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.26 -40.02 76.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.829 0.347 . . . . 0.0 110.715 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.423 ' O ' ' N ' ' A' ' 15' ' ' ARG . 11.1 mtpt -73.31 -46.25 50.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.122 -179.627 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.414 ' O ' ' CE3' ' A' ' 16' ' ' TRP . 2.2 mmp_? -46.91 -28.67 1.68 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.768 0.318 . . . . 0.0 111.022 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -74.46 -59.33 2.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.463 179.504 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -68.96 -14.63 63.16 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.844 179.454 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.423 ' N ' ' O ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -74.06 -22.02 59.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.075 -179.827 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.414 ' CE3' ' O ' ' A' ' 12' ' ' ARG . 1.7 m0 -99.01 -96.74 0.23 Allowed 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 111.806 0.299 . . . . 0.0 111.806 -179.663 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 40.83 72.89 0.14 Allowed 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 121.188 0.518 . . . . 0.0 111.526 -179.301 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -55.62 -50.69 69.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.765 -179.065 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.5 p-10 -98.16 -15.33 19.95 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 111.685 0.254 . . . . 0.0 111.685 -179.277 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 81.11 49.0 5.77 Favored Glycine 0 CA--C 1.518 0.246 0 C-N-CA 120.54 -0.838 . . . . 0.0 112.126 -179.576 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.0 p30 -95.44 -12.49 25.84 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 111.751 0.278 . . . . 0.0 111.751 -179.568 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 82.06 21.3 61.28 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.302 -179.598 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -158.19 179.71 8.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.631 0.253 . . . . 0.0 110.498 179.641 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -114.46 116.86 29.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.87 0.367 . . . . 0.0 110.449 179.374 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -116.29 170.78 8.27 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.583 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -70.15 -39.33 75.42 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.583 179.702 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.2 -22.48 51.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.829 179.394 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -70.87 -27.64 63.98 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.012 179.617 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.464 ' CE2' HD12 ' A' ' 59' ' ' LEU . 65.4 m-85 -76.97 -36.02 56.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.739 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -65.39 -40.98 94.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.51 179.721 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.8 tptt -66.05 -43.69 86.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.866 0.365 . . . . 0.0 110.308 179.693 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -50.5 -68.08 0.2 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.268 179.61 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.415 ' CB ' ' HG3' ' A' ' 53' ' ' LYS . . . -43.06 -46.03 5.48 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.95 179.507 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -64.61 -54.46 31.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.46 179.518 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 27.6 t60 -56.37 -39.41 72.88 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.1 179.457 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.437 ' O ' ' HB3' ' A' ' 39' ' ' ALA . 56.7 mt -63.1 -54.75 29.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.494 179.245 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -43.01 -46.35 5.48 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.716 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.61 -35.57 74.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.914 0.388 . . . . 0.0 110.086 179.349 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.437 ' HB3' ' O ' ' A' ' 36' ' ' ILE . . . -62.11 -33.52 74.61 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 178.716 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -89.7 1.41 56.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.463 178.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 65.08 -157.93 45.88 Favored Glycine 0 N--CA 1.446 -0.673 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.374 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 23.2 mtmt 74.37 -155.29 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.659 0.266 . . . . 0.0 111.214 179.383 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.401 ' HB2' ' HB2' ' A' ' 46' ' ' ALA . 1.0 OUTLIER -68.81 -162.31 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.928 0.394 . . . . 0.0 111.727 -178.898 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.824 ' O ' HG11 ' A' ' 49' ' ' VAL . . . -142.19 -54.26 0.43 Allowed 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 178.107 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -90.87 30.41 6.22 Favored Glycine 0 CA--C 1.519 0.3 0 CA-C-N 114.911 -1.04 . . . . 0.0 112.266 179.56 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.401 ' HB2' ' HB2' ' A' ' 43' ' ' ASP . . . -68.7 -169.55 0.17 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.765 0.283 . . . . 0.0 110.811 179.445 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -87.6 -45.25 10.59 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.813 0.34 . . . . 0.0 111.186 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -58.79 -27.32 64.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.053 -0.521 . . . . 0.0 112.181 -178.816 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.824 HG11 ' O ' ' A' ' 44' ' ' ALA . 5.6 p -76.66 -42.4 34.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.594 -0.275 . . . . 0.0 110.554 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -60.93 -42.59 98.45 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 178.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 27.9 m -58.77 -55.82 30.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.832 178.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 47.2 tp -50.42 -60.85 2.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.729 -0.668 . . . . 0.0 110.459 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.415 ' HG3' ' CB ' ' A' ' 33' ' ' ALA . 35.8 mtpt -50.86 -36.17 36.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.61 -0.268 . . . . 0.0 110.784 179.566 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -59.35 -41.52 89.38 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.874 0.369 . . . . 0.0 110.232 179.595 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.05 -46.71 67.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.378 178.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -55.43 -33.71 63.81 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.543 179.515 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -63.17 -51.31 56.0 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.264 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -60.12 -28.75 67.01 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.676 -0.774 . . . . 0.0 112.554 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.64 HD13 ' C ' ' A' ' 59' ' ' LEU . 3.1 tm? -57.48 -39.35 76.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.728 0.299 . . . . 0.0 110.281 179.778 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.417 ' O ' ' N ' ' A' ' 63' ' ' LEU . 47.8 t80 -62.55 -43.9 97.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.399 179.421 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.405 ' OD1' ' N ' ' A' ' 61' ' ' ASP . 0.8 OUTLIER -41.37 -50.33 3.79 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.535 -179.625 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 15.2 t80 -58.05 -33.24 68.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.839 0.352 . . . . 0.0 110.805 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.417 ' N ' ' O ' ' A' ' 60' ' ' PHE . 13.8 mt -67.08 -57.22 7.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.037 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.62 ' HB1' ' O ' ' A' ' 69' ' ' VAL . . . -55.82 -48.33 75.62 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.516 179.738 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 37.3 mtmt -62.54 -53.35 56.08 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.683 -179.685 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 43.9 mm-40 -61.52 -40.1 93.41 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.808 179.601 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -76.54 -26.74 55.5 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.82 0.343 . . . . 0.0 111.601 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 103.65 4.09 46.19 Favored Glycine 0 CA--C 1.521 0.455 0 C-N-CA 120.782 -0.723 . . . . 0.0 114.139 178.721 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.62 ' O ' ' HB1' ' A' ' 64' ' ' ALA . 25.5 m -106.0 176.16 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 117.153 0.477 . . . . 0.0 110.942 179.544 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -85.77 177.51 49.74 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 121.004 -0.617 . . . . 0.0 113.853 -178.728 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.16 -14.03 52.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.136 -0.532 . . . . 0.0 111.082 178.416 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.8 p30 -111.23 14.93 21.7 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 111.608 0.225 . . . . 0.0 111.608 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -94.26 -166.04 36.65 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.503 -0.855 . . . . 0.0 112.641 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 85.3 p -142.06 154.8 45.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.871 0.367 . . . . 0.0 111.361 -179.346 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -117.83 138.4 52.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.297 179.35 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 12.0 p -87.67 178.79 6.65 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.219 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -69.85 -48.24 59.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.133 -179.563 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.93 -35.69 71.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.461 179.792 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.1 -41.85 61.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.036 0.446 . . . . 0.0 110.042 179.215 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 23.1 t80 -52.31 -54.34 32.82 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.489 179.19 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.531 HG23 HD13 ' A' ' 9' ' ' LEU . 79.0 mt -54.76 -51.11 55.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.39 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 58.1 ttt180 -55.74 -54.98 37.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.64 -179.376 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 13.1 t -70.57 -34.61 57.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 111.882 0.327 . . . . 0.0 111.882 -179.218 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 75.5 m -63.03 -43.35 98.92 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.055 0.455 . . . . 0.0 110.087 179.652 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -49.58 -51.41 37.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.799 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -60.7 -37.63 82.3 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.198 -0.456 . . . . 0.0 112.011 -179.45 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 10.4 mt -56.37 -52.6 63.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.822 0.344 . . . . 0.0 111.011 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.443 HG13 ' NE2' ' A' ' 166' ' ' HIS . 49.6 mm -72.54 -38.38 59.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.439 -179.705 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -92.29 -80.05 0.37 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.405 -179.626 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -59.73 -163.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.945 0.402 . . . . 0.0 111.229 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 69.56 -81.62 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.994 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 134.9 174.73 13.55 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.597 -0.811 . . . . 0.0 112.965 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -58.36 -57.43 12.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.108 0.48 . . . . 0.0 111.483 -179.72 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.44 ' O ' ' HB2' ' A' ' 98' ' ' ARG . . . -58.87 -14.7 9.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.668 -0.696 . . . . 0.0 112.515 -178.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 16.5 m -76.92 -43.08 36.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.673 0.273 . . . . 0.0 111.228 -179.723 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 22.7 t80 -71.64 -39.51 70.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.782 0.325 . . . . 0.0 111.782 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 42.0 t-20 -69.52 -34.18 73.9 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.654 -179.579 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.44 ' HB2' ' O ' ' A' ' 94' ' ' ALA . 0.4 OUTLIER -60.46 -66.18 0.57 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.886 0.374 . . . . 0.0 111.993 -179.582 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.416 HG12 HD23 ' A' ' 59' ' ' LEU . 42.7 t -72.25 -35.0 51.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 113.083 0.772 . . . . 0.0 113.083 -178.029 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.916 HD13 ' HB ' ' A' ' 103' ' ' VAL . 0.2 OUTLIER -89.58 -26.01 21.04 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 119.707 -0.797 . . . . 0.0 112.498 -177.721 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -43.35 -60.83 3.01 Favored Glycine 0 CA--C 1.522 0.519 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.579 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_exo -61.4 -16.59 48.18 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.791 2.328 . . . . 0.0 112.439 179.515 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.916 ' HB ' HD13 ' A' ' 100' ' ' LEU . 80.3 t -80.06 -51.59 15.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.191 -179.574 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.623 ' O ' HG23 ' A' ' 108' ' ' VAL . 4.9 t -68.66 -32.72 56.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.981 0.419 . . . . 0.0 110.932 179.351 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.07 -56.74 16.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.649 179.664 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -45.37 -38.87 7.03 Favored Glycine 0 CA--C 1.518 0.279 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.199 179.584 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 17.7 mt -75.16 -38.17 41.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.756 0.312 . . . . 0.0 111.139 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.623 HG23 ' O ' ' A' ' 104' ' ' VAL . 97.0 t -63.52 -32.84 58.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.025 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -71.82 -27.79 70.09 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.592 -0.813 . . . . 0.0 112.35 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.27 -27.47 42.29 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.631 0.253 . . . . 0.0 110.441 179.747 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -86.73 -41.39 14.18 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 113.025 0.75 . . . . 0.0 113.025 -177.528 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ASP . . . . . 0.436 ' HA ' ' HG2' ' A' ' 123' ' ' GLU . 11.7 m-20 -63.24 -72.71 0.13 Allowed 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.453 -0.499 . . . . 0.0 110.445 -179.206 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.427 ' HB2' ' O ' ' A' ' 112' ' ' ASP . 0.8 OUTLIER 81.83 -2.42 1.56 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.067 -178.252 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 114' ' ' ASN . . . . . 0.585 ' O ' ' HB3' ' A' ' 115' ' ' ALA . 2.4 p30 -105.62 -18.63 14.02 Favored 'General case' 0 CA--C 1.528 0.131 0 CA-C-N 116.625 -0.262 . . . . 0.0 110.533 179.487 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.585 ' HB3' ' O ' ' A' ' 114' ' ' ASN . . . 78.8 43.02 0.08 Allowed 'General case' 0 C--O 1.232 0.151 0 N-CA-C 112.662 0.615 . . . . 0.0 112.662 179.088 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 46.6 p-10 -105.83 -18.67 13.98 Favored 'General case' 0 N--CA 1.463 0.179 0 C-N-CA 121.034 -0.266 . . . . 0.0 110.975 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 79.43 12.21 84.05 Favored Glycine 0 CA--C 1.521 0.462 0 C-N-CA 120.828 -0.701 . . . . 0.0 113.479 179.537 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -124.78 163.91 21.11 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 117.315 0.557 . . . . 0.0 111.828 -179.641 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.542 HG13 HD11 ' A' ' 158' ' ' LEU . 31.9 mm -110.34 101.17 12.17 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.186 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.404 -179.452 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -85.71 158.81 19.95 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 179.384 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.472 ' HB2' ' CZ ' ' A' ' 142' ' ' PHE . . . -48.48 -38.46 20.1 Favored 'General case' 0 C--N 1.332 -0.161 0 C-N-CA 121.143 -0.223 . . . . 0.0 111.286 -178.812 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.6 -27.3 65.92 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 178.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.436 ' HG2' ' HA ' ' A' ' 112' ' ' ASP . 25.1 mt-10 -85.97 -46.6 10.38 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.348 178.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 124' ' ' PHE . . . . . 0.487 ' CE2' HD11 ' A' ' 128' ' ' LEU . 3.9 t80 -55.08 -50.7 68.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.955 0.407 . . . . 0.0 110.41 179.664 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.562 ' HA ' ' HB1' ' A' ' 138' ' ' ALA . . . -56.45 -41.89 77.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.381 179.639 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -55.36 -34.95 64.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.471 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 13.1 t90 -83.39 -44.21 15.07 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 112.033 0.382 . . . . 0.0 112.033 -178.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.487 HD11 ' CE2' ' A' ' 124' ' ' PHE . 0.3 OUTLIER -59.64 -43.71 93.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.876 0.37 . . . . 0.0 111.015 -179.43 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 129' ' ' THR . . . . . 0.42 ' HA ' ' O ' ' A' ' 133' ' ' MET . 69.0 p -70.46 -27.62 64.37 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.076 179.372 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.29 -36.45 84.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.331 179.228 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 66.7 mt -85.1 0.56 51.2 Favored 'General case' 0 CA--C 1.531 0.22 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -178.668 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 108.41 24.63 6.11 Favored Glycine 0 C--N 1.332 0.351 0 C-N-CA 120.159 -1.02 . . . . 0.0 113.874 178.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' MET . . . . . 0.42 ' O ' ' HA ' ' A' ' 129' ' ' THR . 23.5 mmt -101.68 154.87 18.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 117.366 0.583 . . . . 0.0 110.62 179.467 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 1.3 p -82.39 169.35 16.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.738 0.304 . . . . 0.0 111.101 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.87 -22.59 61.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.434 -179.552 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -80.69 -26.34 37.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.946 179.681 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -75.13 -44.97 44.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.818 -179.409 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 138' ' ' ALA . . . . . 0.562 ' HB1' ' HA ' ' A' ' 125' ' ' ALA . . . -57.16 -52.07 66.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.817 0.342 . . . . 0.0 110.664 -179.619 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -50.93 -43.34 60.08 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.981 179.435 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.19 -46.5 64.46 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.657 -179.826 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 141' ' ' ALA . . . . . 0.5 ' O ' HG23 ' A' ' 145' ' ' VAL . . . -63.13 -37.15 86.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.619 -179.337 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 142' ' ' PHE . . . . . 0.472 ' CZ ' ' HB2' ' A' ' 121' ' ' ALA . 89.6 t80 -52.85 -61.02 2.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.393 179.488 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -55.51 -34.6 64.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.838 -179.348 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 144' ' ' GLN . . . . . 0.445 ' OE1' HD21 ' A' ' 170' ' ' LEU . 31.4 mt-30 -67.92 -31.07 70.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.463 -179.252 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 141' ' ' ALA . 59.8 t -85.02 -35.14 9.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 -178.879 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.85 77.95 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.137 0.494 . . . . 0.0 111.367 -179.142 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 147' ' ' THR . . . . . 0.453 ' N ' ' O ' ' A' ' 145' ' ' VAL . 2.2 m -56.83 -33.09 66.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.708 -0.678 . . . . 0.0 112.095 179.643 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 56.5 p30 -97.76 4.86 49.79 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.442 0.534 . . . . 0.0 112.442 -178.368 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 40.7 36.95 1.17 Allowed Glycine 0 CA--C 1.521 0.449 0 C-N-CA 120.998 -0.62 . . . . 0.0 113.214 179.762 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 45.8 p-10 -94.18 -6.92 43.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.519 0.199 . . . . 0.0 111.528 -179.711 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 93.78 0.46 66.52 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.575 -0.821 . . . . 0.0 113.548 179.133 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -132.74 134.61 44.97 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 117.435 0.618 . . . . 0.0 110.509 179.54 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 0.455 ' HG ' ' CE1' ' A' ' 142' ' ' PHE . 56.8 mt -95.58 104.1 16.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.305 179.278 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 9.7 m -88.11 156.6 19.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.929 0.395 . . . . 0.0 111.796 -178.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -44.41 -41.18 6.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.928 -179.408 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.78 -56.52 19.58 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.805 0.336 . . . . 0.0 111.102 -179.531 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -67.89 -14.64 63.13 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.724 0.638 . . . . 0.0 112.724 -179.337 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 158' ' ' LEU . . . . . 0.542 HD11 HG13 ' A' ' 119' ' ' ILE . 0.6 OUTLIER -70.41 -44.48 67.84 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 120.892 0.377 . . . . 0.0 111.056 -179.946 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.625 ' N ' HD23 ' A' ' 159' ' ' LEU . 0.3 OUTLIER -72.28 -44.51 62.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.459 -179.22 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 81.1 p -53.75 -44.35 69.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.895 0.379 . . . . 0.0 111.035 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 161' ' ' ALA . . . . . 0.653 ' HB1' HG11 ' A' ' 172' ' ' VAL . . . -55.15 -64.79 0.73 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.465 179.733 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 162' ' ' VAL . . . . . 0.522 HG12 ' O ' ' A' ' 159' ' ' LEU . 11.2 p -52.16 -33.84 17.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 120.971 0.415 . . . . 0.0 110.614 179.346 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 2.4 ttt180 -52.26 -35.38 49.84 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.421 179.657 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 33.6 m-20 -87.92 72.07 9.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.969 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 165' ' ' PHE . . . . . 0.406 ' HA ' ' HA ' ' A' ' 169' ' ' ARG . 2.4 p90 -137.39 12.85 3.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.542 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 166' ' ' HIS . . . . . 0.443 ' NE2' HG13 ' A' ' 88' ' ' ILE . 17.2 m170 -90.74 -83.4 0.26 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.901 0.381 . . . . 0.0 110.668 179.791 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 167' ' ' PHE . . . . . 0.459 ' O ' ' CD2' ' A' ' 167' ' ' PHE . 50.8 p90 -92.53 109.38 20.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.48 179.681 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 168' ' ' GLY . . . . . 0.406 ' O ' ' HG2' ' A' ' 169' ' ' ARG . . . 93.06 -40.11 2.87 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.239 -179.461 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 169' ' ' ARG . . . . . 0.406 ' HG2' ' O ' ' A' ' 168' ' ' GLY . 29.3 ptt-85 44.26 -162.97 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.951 0.405 . . . . 0.0 111.703 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 170' ' ' LEU . . . . . 0.445 HD21 ' OE1' ' A' ' 144' ' ' GLN . 5.9 tp -161.07 -174.6 4.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.058 -179.497 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 -77.36 -4.8 47.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.107 179.573 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 172' ' ' VAL . . . . . 0.653 HG11 ' HB1' ' A' ' 161' ' ' ALA . 62.3 t -68.61 -80.95 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.528 0.107 0 CA-C-O 120.6 0.238 . . . . 0.0 110.957 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 44.07 65.68 0.99 Allowed 'General case' 0 CA--C 1.529 0.163 0 CA-C-O 120.72 0.295 . . . . 0.0 111.575 179.511 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 174' ' ' LEU . . . . . 0.434 ' CB ' ' HB ' ' A' ' 162' ' ' VAL . 7.2 tt -48.38 -47.59 37.34 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.074 0.464 . . . . 0.0 110.737 179.632 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 175' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.56 116.25 8.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.759 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.399 -1.223 . . . . 0.0 112.421 -179.951 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 500' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 501' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 502' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.84 0.352 . . . . 0.0 111.207 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.419 ' O ' ' HB3' ' A' ' 3' ' ' ALA . 2.6 m -139.42 -67.11 0.45 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.035 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.419 ' HB3' ' O ' ' A' ' 2' ' ' THR . . . 66.78 174.64 0.25 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.0 0.428 . . . . 0.0 111.141 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.5 mp -78.78 -24.12 13.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.002 179.372 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.13 -45.42 88.65 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.904 -0.589 . . . . 0.0 112.194 -179.273 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.7 t -58.27 -58.08 10.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.921 0.391 . . . . 0.0 111.007 -179.558 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -46.66 -52.55 13.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.331 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.12 -44.62 96.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.92 -178.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.799 HD13 HG23 ' A' ' 81' ' ' ILE . 8.4 mt -74.85 -37.05 62.34 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.874 -0.331 . . . . 0.0 111.648 -178.459 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.2 tmtm? -60.72 -63.01 1.45 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.827 0.346 . . . . 0.0 110.712 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 37.7 mttp -50.98 -43.47 60.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.938 0.399 . . . . 0.0 110.701 179.74 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.402 ' NH1' ' OE2' ' A' ' 173' ' ' GLU . 0.9 OUTLIER -45.87 -37.28 6.09 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.303 179.833 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -72.96 -54.74 7.86 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.405 -179.491 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.22 -16.59 63.64 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.62 -179.794 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.7 ttt-85 -74.14 -19.42 60.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.53 0.205 . . . . 0.0 111.538 -179.609 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 11.6 m0 -104.94 -93.14 0.36 Allowed 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 116.798 -0.183 . . . . 0.0 110.991 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 39.96 79.72 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 121.049 0.452 . . . . 0.0 111.732 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.414 ' CD2' ' HB3' ' A' ' 31' ' ' LYS . 80.9 m-85 -56.22 -52.27 65.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.847 -179.224 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 27.8 p-10 -98.68 -13.97 20.04 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 111.832 0.308 . . . . 0.0 111.832 -179.234 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.18 43.19 21.81 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.448 -0.882 . . . . 0.0 112.193 -179.472 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.9 p30 -92.01 -9.09 44.13 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 111.651 0.241 . . . . 0.0 111.651 -179.625 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 81.12 16.88 73.39 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.415 -0.898 . . . . 0.0 112.413 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -153.59 -179.0 7.39 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.571 0.224 . . . . 0.0 110.504 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 78.4 mt -121.4 122.67 40.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.886 0.374 . . . . 0.0 110.92 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -117.86 172.12 7.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.112 0.482 . . . . 0.0 110.683 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.442 ' HA ' ' CD2' ' A' ' 60' ' ' PHE . 8.0 ttp85 -64.36 -30.49 71.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.001 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.52 -18.92 61.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.313 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -73.63 -30.98 63.29 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 110.183 -0.303 . . . . 0.0 110.183 179.435 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.497 ' CZ ' HD11 ' A' ' 63' ' ' LEU . 50.7 m-85 -76.27 -37.08 58.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.923 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -65.29 -35.51 81.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.513 179.67 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.414 ' HB3' ' CD2' ' A' ' 18' ' ' PHE . 8.3 mttt -64.73 -40.28 95.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.035 0.445 . . . . 0.0 109.982 179.4 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.474 ' HG2' ' CZ ' ' A' ' 56' ' ' PHE . 2.6 tt0 -56.39 -18.44 11.04 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.32 179.62 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.425 ' HB3' ' HG2' ' A' ' 53' ' ' LYS . . . -91.25 -50.54 5.77 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.977 0.418 . . . . 0.0 111.065 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.401 ' HG3' ' HD2' ' A' ' 53' ' ' LYS . 18.3 mt-30 -61.08 -51.56 68.65 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.855 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -54.07 -25.26 20.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.932 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.557 ' O ' ' HB3' ' A' ' 39' ' ' ALA . 16.5 mm -85.23 -50.43 14.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.355 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -45.38 -49.16 13.28 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.781 -0.19 . . . . 0.0 111.099 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -58.73 -34.44 71.37 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 178.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.557 ' HB3' ' O ' ' A' ' 36' ' ' ILE . . . -60.56 -31.46 70.58 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 178.404 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -93.94 1.06 56.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.876 179.111 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.406 ' O ' ' HB3' ' A' ' 42' ' ' LYS . . . 59.1 -154.37 29.08 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.979 -0.629 . . . . 0.0 112.889 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.406 ' HB3' ' O ' ' A' ' 41' ' ' GLY . 4.9 ttmt 74.95 -56.49 0.63 Allowed 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 122.389 0.276 . . . . 0.0 111.471 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.531 ' CB ' ' HB2' ' A' ' 46' ' ' ALA . 0.1 OUTLIER -164.67 -164.15 0.79 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.128 0.49 . . . . 0.0 111.931 -179.076 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.73 ' O ' HG11 ' A' ' 49' ' ' VAL . . . -140.85 -57.1 0.51 Allowed 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 177.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -95.96 25.65 24.36 Favored Glycine 0 N--CA 1.452 -0.246 0 CA-C-N 114.72 -1.127 . . . . 0.0 111.771 179.231 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.531 ' HB2' ' CB ' ' A' ' 43' ' ' ASP . . . -66.36 -172.04 0.14 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.927 0.394 . . . . 0.0 111.188 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -73.05 -53.25 11.58 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.16 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -59.05 -27.75 65.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.952 -179.056 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.73 HG11 ' O ' ' A' ' 44' ' ' ALA . 17.1 t -77.26 -44.78 30.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 C-N-CA 120.866 -0.334 . . . . 0.0 110.215 179.517 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.8 tp60 -60.04 -43.35 95.41 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 178.821 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 85.6 m -57.68 -56.2 25.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.97 179.115 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.538 HD13 ' HA3' ' A' ' 106' ' ' GLY . 51.5 tp -50.63 -56.22 12.84 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.43 ' HB3' ' NZ ' ' A' ' 53' ' ' LYS . 9.7 mtpm? -50.75 -42.06 57.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.786 0.327 . . . . 0.0 110.278 178.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -57.81 -44.7 86.56 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.027 179.551 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.82 -44.26 77.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.368 179.2 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.474 ' CZ ' ' HG2' ' A' ' 32' ' ' GLU . 0.2 OUTLIER -57.72 -31.8 66.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.417 179.652 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -68.76 -48.72 47.48 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.059 179.629 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -54.98 -36.79 61.16 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.895 -0.669 . . . . 0.0 112.549 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.747 HD13 HG21 ' A' ' 103' ' ' VAL . 1.2 tt -58.55 -35.31 72.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.707 0.289 . . . . 0.0 110.27 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.442 ' CD2' ' HA ' ' A' ' 26' ' ' ARG . 57.6 t80 -60.2 -47.91 83.96 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.649 -0.501 . . . . 0.0 109.649 179.181 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -42.0 -51.03 4.57 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.088 179.673 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -57.37 -36.06 70.75 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.043 0.449 . . . . 0.0 110.466 179.48 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.497 HD11 ' CZ ' ' A' ' 29' ' ' PHE . 28.0 mt -65.1 -56.28 13.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.297 179.427 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.449 ' HA ' ' CG2' ' A' ' 69' ' ' VAL . . . -56.07 -44.64 79.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.199 179.747 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.88 -54.65 27.52 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.001 0.429 . . . . 0.0 110.849 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -62.44 -39.69 94.17 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.743 179.544 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -77.49 -27.11 51.77 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.867 0.365 . . . . 0.0 111.302 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 64' ' ' ALA . . . 77.33 68.47 1.51 Allowed Glycine 0 CA--C 1.519 0.295 0 C-N-CA 120.914 -0.66 . . . . 0.0 113.911 178.785 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.478 HG23 ' H ' ' A' ' 70' ' ' GLY . 0.0 OUTLIER -124.66 -86.7 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.66 0.23 . . . . 0.0 111.355 179.898 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.55 ' O ' ' CB ' ' A' ' 71' ' ' SER . . . 178.4 -22.81 0.05 OUTLIER Glycine 0 CA--C 1.523 0.58 0 C-N-CA 119.659 -1.258 . . . . 0.0 114.632 -179.651 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.55 ' CB ' ' O ' ' A' ' 70' ' ' GLY . 22.7 t 114.18 -27.15 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.252 1.021 . . . . 0.0 109.745 -178.634 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -110.6 10.62 22.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.082 179.465 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -94.2 -162.86 35.65 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.643 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.4 p -142.79 156.37 44.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.027 0.441 . . . . 0.0 111.503 -179.336 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.5 mt -118.59 142.11 47.94 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.667 179.576 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 4.3 p -86.61 -170.52 3.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.456 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -75.71 -47.55 25.69 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.371 179.384 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -60.29 -31.69 70.49 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.265 179.725 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.491 ' O ' HG23 ' A' ' 83' ' ' VAL . 2.0 mp0 -73.22 -44.61 59.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.007 0.432 . . . . 0.0 110.903 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -52.79 -52.69 55.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.892 179.561 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.799 HG23 HD13 ' A' ' 9' ' ' LEU . 36.1 mt -53.28 -54.22 19.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.671 -0.695 . . . . 0.0 112.015 -179.242 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.42 -49.82 73.43 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.859 -179.209 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 79' ' ' GLN . 21.9 t -71.69 -48.94 49.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 N-CA-C 112.968 0.729 . . . . 0.0 112.968 -178.474 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 3.9 t -59.01 -41.04 86.73 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 121.049 -0.26 . . . . 0.0 111.199 -178.725 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.413 ' O ' ' HB2' ' A' ' 89' ' ' PHE . 2.7 mt-10 -63.28 -42.05 99.05 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -179.051 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.425 ' O ' ' HB2' ' A' ' 90' ' ' GLU . 1.2 t-20 -55.17 -41.09 71.42 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.229 0.455 . . . . 0.0 112.229 -178.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 9.2 mt -59.52 -57.04 14.71 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.809 0.338 . . . . 0.0 111.704 -179.51 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 3.1 mt -73.17 -36.86 51.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 N-CA-C 112.708 0.633 . . . . 0.0 112.708 -178.813 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.413 ' HB2' ' O ' ' A' ' 85' ' ' GLU . 11.4 m-85 -89.68 -70.25 0.67 Allowed 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.173 0.435 . . . . 0.0 112.173 -178.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.425 ' HB2' ' O ' ' A' ' 86' ' ' ASN . 0.0 OUTLIER -41.58 -79.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.344 0.498 . . . . 0.0 112.344 -178.667 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.5 175.11 10.81 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 112.21 0.448 . . . . 0.0 112.21 -178.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -89.23 -157.07 32.52 Favored Glycine 0 C--N 1.334 0.426 0 C-N-CA 121.068 -0.587 . . . . 0.0 113.406 -179.262 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -56.53 -39.77 73.92 Favored 'General case' 0 N--CA 1.462 0.166 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 -179.188 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -52.92 -25.85 13.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.908 -178.466 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.3 p -82.38 -52.65 6.69 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.038 179.541 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.637 ' CZ ' HD22 ' A' ' 100' ' ' LEU . 3.4 t80 -71.7 -39.26 70.3 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.845 -179.58 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.411 ' O ' ' N ' ' A' ' 101' ' ' GLY . 33.2 t-20 -69.17 -36.14 77.05 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.555 -179.381 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 -63.19 -65.92 0.62 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.846 0.355 . . . . 0.0 111.638 -179.161 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 9.8 p -66.53 -39.64 84.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 112.658 0.614 . . . . 0.0 112.658 -178.201 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.637 HD22 ' CZ ' ' A' ' 96' ' ' PHE . 7.4 tp -89.87 -23.97 21.5 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 112.819 0.674 . . . . 0.0 112.819 -177.598 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 97' ' ' ASN . . . -44.38 -66.21 1.45 Allowed Glycine 0 CA--C 1.521 0.431 0 C-N-CA 120.519 -0.848 . . . . 0.0 113.212 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -54.09 -18.49 13.7 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.727 2.285 . . . . 0.0 112.68 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.747 HG21 HD13 ' A' ' 59' ' ' LEU . 43.7 t -77.61 -46.05 27.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 C-N-CA 120.765 -0.374 . . . . 0.0 111.299 -179.539 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.421 ' O ' HG23 ' A' ' 108' ' ' VAL . 47.3 t -70.46 -36.32 65.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 121.022 0.439 . . . . 0.0 110.702 179.432 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.472 ' CG ' HD11 ' A' ' 155' ' ' LEU . 16.9 mtpt -57.5 -52.53 65.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.772 179.31 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' GLY . . . . . 0.538 ' HA3' HD13 ' A' ' 52' ' ' LEU . . . -47.56 -31.2 6.87 Favored Glycine 0 C--N 1.331 0.262 0 CA-C-N 115.829 -0.623 . . . . 0.0 112.818 -179.8 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.438 HD13 ' CZ2' ' A' ' 127' ' ' TRP . 46.9 mt -75.39 -39.66 41.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.909 0.385 . . . . 0.0 110.69 179.794 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.424 HG12 ' CG ' ' A' ' 112' ' ' ASP . 10.8 t -62.76 -36.32 74.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.344 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -59.81 -41.08 97.47 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.536 -0.84 . . . . 0.0 112.555 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 1.3 mtp -79.14 -25.07 42.93 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 121.376 -0.13 . . . . 0.0 111.183 -179.519 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 42.9 t -97.15 -26.11 15.07 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 113.328 0.862 . . . . 0.0 113.328 -177.747 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ASP . . . . . 0.424 ' CG ' HG12 ' A' ' 108' ' ' VAL . 5.5 m-20 -62.27 104.88 0.53 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.151 0.5 . . . . 0.0 111.191 -178.453 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 2.8 mtpt -87.5 -21.66 25.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.939 179.373 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -107.55 8.24 29.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.617 -0.265 . . . . 0.0 111.409 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . 40.51 61.63 1.56 Allowed 'General case' 0 N--CA 1.463 0.215 0 N-CA-C 112.136 0.421 . . . . 0.0 112.136 179.539 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -120.06 -10.15 9.48 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 116.67 -0.241 . . . . 0.0 111.421 179.433 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 79.27 9.55 86.89 Favored Glycine 0 C--N 1.334 0.459 0 C-N-CA 120.884 -0.674 . . . . 0.0 113.167 179.482 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -123.43 167.46 13.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.949 0.404 . . . . 0.0 111.363 -179.717 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.76 HG13 HD11 ' A' ' 158' ' ' LEU . 20.1 mm -108.5 99.18 8.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.399 -179.419 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' ASN . . . . . 0.425 ' O ' ' N ' ' A' ' 123' ' ' GLU . 1.4 m-20 -85.4 155.24 21.37 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 178.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.402 ' HB2' ' CE2' ' A' ' 142' ' ' PHE . . . -47.22 -37.55 10.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.595 0.236 . . . . 0.0 111.569 -178.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 -71.26 -27.15 63.24 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 110.156 -0.313 . . . . 0.0 110.156 179.258 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 120' ' ' ASN . 37.6 mt-10 -84.05 -47.96 10.39 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 178.706 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 124' ' ' PHE . . . . . 0.581 ' CE2' HD11 ' A' ' 128' ' ' LEU . 2.4 t80 -57.47 -50.81 71.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.099 0.475 . . . . 0.0 110.874 179.685 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -55.48 -45.38 76.97 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.016 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -56.71 -31.33 64.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.867 -179.535 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' TRP . . . . . 0.476 ' O ' ' HB3' ' A' ' 130' ' ' ALA . 12.7 t90 -87.81 -36.44 17.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.603 0.239 . . . . 0.0 111.594 -178.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.581 HD11 ' CE2' ' A' ' 124' ' ' PHE . 0.9 OUTLIER -62.73 -41.9 99.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.149 0.499 . . . . 0.0 110.418 179.836 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 39.6 p -71.28 -21.86 62.03 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.073 178.569 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' ALA . . . . . 0.476 ' HB3' ' O ' ' A' ' 127' ' ' TRP . . . -64.7 -37.34 87.26 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.4 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 38.6 mt -89.12 -13.06 39.37 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 112.226 0.454 . . . . 0.0 112.226 -178.475 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 122.46 29.59 1.29 Allowed Glycine 0 N--CA 1.453 -0.2 0 C-N-CA 119.943 -1.122 . . . . 0.0 113.848 179.226 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' MET . . . . . . . . . . . . . 18.9 mmt -103.18 151.94 22.03 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 178.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.34 163.66 21.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.934 0.397 . . . . 0.0 111.289 -179.491 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 1.3 ttmm -65.01 -26.54 68.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.177 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -78.86 -25.42 43.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.86 179.382 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -73.56 -44.51 57.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.608 -179.552 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 138' ' ' ALA . . . . . 0.567 ' HA ' HD13 ' A' ' 128' ' ' LEU . . . -58.79 -56.28 24.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.803 -179.758 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -48.61 -44.0 36.73 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.197 179.643 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.5 -48.99 58.8 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.464 -179.56 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 141' ' ' ALA . . . . . 0.571 ' O ' HG23 ' A' ' 145' ' ' VAL . . . -62.01 -36.08 80.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.721 -179.049 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 142' ' ' PHE . . . . . 0.402 ' CE2' ' HB2' ' A' ' 121' ' ' ALA . 44.0 t80 -55.31 -59.32 4.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.856 179.584 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -58.58 -34.34 70.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.733 -0.667 . . . . 0.0 112.277 -179.723 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -65.73 -38.63 89.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.966 -178.766 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 0.571 HG23 ' O ' ' A' ' 141' ' ' ALA . 20.5 t -82.93 -28.58 8.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 N-CA-C 112.551 0.574 . . . . 0.0 112.551 -178.258 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.14 78.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.054 0.454 . . . . 0.0 111.239 -179.386 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 147' ' ' THR . . . . . 0.452 ' N ' ' O ' ' A' ' 145' ' ' VAL . 17.0 m -56.48 -35.98 68.59 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.661 -0.699 . . . . 0.0 112.289 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 49.4 p-10 -97.12 6.59 48.24 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.234 0.457 . . . . 0.0 112.234 -178.511 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 40.29 37.31 1.1 Allowed Glycine 0 C--N 1.335 0.496 0 C-N-CA 121.087 -0.577 . . . . 0.0 113.325 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 23.2 p-10 -92.56 -6.87 48.67 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.526 0.203 . . . . 0.0 111.504 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 89.34 3.29 75.58 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.581 -0.819 . . . . 0.0 113.425 179.168 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -132.18 133.48 44.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 117.463 0.631 . . . . 0.0 110.712 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 0.467 ' HA ' HD23 ' A' ' 153' ' ' LEU . 7.6 mt -97.74 100.12 11.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.861 178.837 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 3.0 t -86.8 164.31 16.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.121 0.486 . . . . 0.0 111.606 -178.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 155' ' ' LEU . . . . . 0.472 HD11 ' CG ' ' A' ' 105' ' ' LYS . 3.1 mt -45.47 -44.96 12.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.1 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -56.46 -58.76 6.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.131 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -66.07 -14.84 62.42 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.706 -0.679 . . . . 0.0 112.585 -178.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 158' ' ' LEU . . . . . 0.76 HD11 HG13 ' A' ' 119' ' ' ILE . 10.9 mt -70.06 -50.15 43.99 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.919 0.39 . . . . 0.0 110.91 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.636 ' N ' HD23 ' A' ' 159' ' ' LEU . 0.3 OUTLIER -65.01 -38.61 91.49 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.478 179.881 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 75.8 p -54.22 -27.97 38.03 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.019 0.438 . . . . 0.0 110.451 179.629 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 161' ' ' ALA . . . . . 0.975 ' HB1' HG11 ' A' ' 172' ' ' VAL . . . -62.45 -69.14 0.27 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.775 179.664 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 162' ' ' VAL . . . . . 0.565 HG21 ' HG ' ' A' ' 175' ' ' LEU . 10.2 p -54.97 -32.03 26.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.988 179.63 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -50.34 -32.83 18.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.067 -179.792 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -94.33 49.35 1.29 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.233 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 165' ' ' PHE . . . . . 0.404 ' HA ' ' HA ' ' A' ' 169' ' ' ARG . 1.7 p90 -111.26 -33.29 6.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.919 0.39 . . . . 0.0 110.668 179.588 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 1.2 m80 -59.26 -61.94 2.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.494 179.599 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 167' ' ' PHE . . . . . 0.471 ' O ' ' CD2' ' A' ' 167' ' ' PHE . 54.5 p90 -92.71 110.65 22.09 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.625 179.665 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . 51.86 70.96 0.74 Allowed Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.502 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 169' ' ' ARG . . . . . 0.404 ' HA ' ' HA ' ' A' ' 165' ' ' PHE . 0.2 OUTLIER -53.97 174.48 0.05 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.862 0.363 . . . . 0.0 110.655 179.936 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 170' ' ' LEU . . . . . 0.669 HD21 ' HB ' ' A' ' 172' ' ' VAL . 0.9 OUTLIER -140.11 -168.66 2.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.61 179.843 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 52.9 p30 -81.4 55.77 2.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.082 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 172' ' ' VAL . . . . . 0.975 HG11 ' HB1' ' A' ' 161' ' ' ALA . 96.8 t -148.15 -76.09 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.903 179.834 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 173' ' ' GLU . . . . . 0.402 ' OE2' ' NH1' ' A' ' 12' ' ' ARG . 2.9 tt0 44.21 57.61 4.18 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.93 -179.773 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 174' ' ' LEU . . . . . 0.617 ' O ' HD23 ' A' ' 174' ' ' LEU . 3.5 tt -69.46 73.03 0.34 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.238 -179.624 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 175' ' ' LEU . . . . . 0.565 ' HG ' HG21 ' A' ' 162' ' ' VAL . 0.4 OUTLIER -126.8 -47.82 1.52 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.526 179.677 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.085 0 CA-C-O 118.382 -1.232 . . . . 0.0 112.422 179.916 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 500' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 501' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 502' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' THR . . . . . 0.486 HG22 ' OG1' ' A' ' 2' ' ' THR . 86.1 m . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.76 0.314 . . . . 0.0 111.638 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.486 ' OG1' HG22 ' A' ' 1' ' ' THR . 0.2 OUTLIER 71.13 15.34 6.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 112.137 178.787 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 61.83 113.02 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.902 0.382 . . . . 0.0 110.773 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -78.04 -24.53 14.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.846 179.513 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.98 -45.09 90.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.818 -0.628 . . . . 0.0 112.125 -179.267 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 m -58.99 -57.04 14.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.816 0.341 . . . . 0.0 111.566 -179.387 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -49.07 -51.5 31.06 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 -178.908 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.431 ' HG3' ' CZ ' ' A' ' 165' ' ' PHE . 17.7 tpp180 -60.47 -44.54 95.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.773 0.321 . . . . 0.0 111.58 -178.534 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.781 HD13 HG23 ' A' ' 81' ' ' ILE . 17.0 mt -78.11 -35.19 49.53 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.144 0.424 . . . . 0.0 112.144 -178.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.5 tmtt? -57.84 -54.34 47.99 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.308 -179.428 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.0 mttp -59.69 -45.9 90.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.247 -179.664 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.443 ' NH1' HD12 ' A' ' 175' ' ' LEU . 0.1 OUTLIER -48.94 -27.47 3.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.878 0.371 . . . . 0.0 111.346 -179.606 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.476 ' CD1' ' HB2' ' A' ' 77' ' ' GLU . 70.3 t80 -72.17 -51.7 20.02 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.712 -179.844 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -69.36 -26.26 64.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.711 179.729 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -76.97 -20.13 56.49 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.639 179.384 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -108.59 77.97 1.12 Allowed 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.844 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -153.51 82.01 1.17 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.537 0.684 . . . . 0.0 110.958 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -54.98 -48.82 72.77 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 114.836 -1.074 . . . . 0.0 112.59 -178.495 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 15.6 p-10 -97.11 -13.23 22.31 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 111.864 0.32 . . . . 0.0 111.864 -179.457 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 75.06 47.64 12.94 Favored Glycine 0 C--N 1.331 0.293 0 C-N-CA 120.584 -0.817 . . . . 0.0 112.483 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.5 p-10 -97.19 -8.97 28.72 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.235 0.457 . . . . 0.0 112.235 -179.454 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 80.32 22.75 62.16 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.373 -0.918 . . . . 0.0 112.52 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -155.72 172.52 18.18 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 110.318 -0.253 . . . . 0.0 110.318 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.5 mp -112.54 119.96 39.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.763 0.316 . . . . 0.0 110.648 179.621 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -119.28 168.51 10.84 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.049 179.494 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 39.3 ptt85 -71.59 -34.59 70.03 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.225 -179.472 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.67 -20.32 55.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.012 179.623 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 43.9 m-20 -70.92 -24.47 62.46 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.789 0.328 . . . . 0.0 110.275 179.547 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.436 ' HB3' ' HB3' ' A' ' 56' ' ' PHE . 19.0 m-85 -77.95 -35.15 50.7 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.266 -179.775 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -65.71 -37.59 86.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.817 0.341 . . . . 0.0 110.245 179.552 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.37 -45.44 72.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.811 179.687 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.409 ' O ' HG13 ' A' ' 36' ' ' ILE . 4.2 tt0 -47.94 -67.08 0.31 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.357 179.802 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -45.07 -47.54 11.9 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.938 0.399 . . . . 0.0 111.203 179.356 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -61.36 -55.9 26.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.969 -0.559 . . . . 0.0 109.868 179.543 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -52.7 -27.82 19.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.49 179.756 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.409 HG13 ' O ' ' A' ' 32' ' ' GLU . 96.2 mt -77.68 -57.54 5.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.55 179.122 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -40.92 -46.0 2.68 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.774 -179.622 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -57.89 -40.29 79.93 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.635 179.726 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.26 -27.54 69.41 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.728 179.257 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -90.97 1.23 57.21 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.602 -179.741 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 67.84 13.43 63.86 Favored Glycine 0 C--N 1.332 0.341 0 C-N-CA 120.705 -0.76 . . . . 0.0 113.304 179.516 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 56.3 mmtt -91.63 155.06 18.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.782 0.325 . . . . 0.0 110.761 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -70.84 129.8 40.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.363 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.536 ' O ' HG11 ' A' ' 49' ' ' VAL . . . -67.6 -15.63 63.76 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.799 -179.575 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -102.09 16.97 55.13 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.285 -0.96 . . . . 0.0 113.42 -179.19 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.05 -170.49 0.35 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.867 0.333 . . . . 0.0 110.772 179.354 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -89.5 -45.14 9.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.004 0.431 . . . . 0.0 111.076 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -62.2 -23.62 66.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.992 -179.087 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.536 HG11 ' O ' ' A' ' 44' ' ' ALA . 7.7 p -75.94 -45.13 37.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.457 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.491 ' N ' HG13 ' A' ' 49' ' ' VAL . 10.5 tt0 -61.9 -39.3 91.53 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 179.118 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 94.5 m -60.49 -54.98 39.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 109.965 178.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 11.6 tp -52.27 -59.54 4.28 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.515 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.3 mttt -50.93 -37.07 41.93 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 121.002 0.429 . . . . 0.0 110.025 179.348 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -58.6 -44.21 89.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.22 179.277 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.441 ' CB ' ' O ' ' A' ' 102' ' ' PRO . . . -69.37 -46.23 67.45 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.018 179.633 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.436 ' HB3' ' HB3' ' A' ' 29' ' ' PHE . 0.4 OUTLIER -55.12 -30.86 60.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.496 179.789 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -62.63 -51.11 58.4 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.508 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -61.89 -28.02 69.55 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.586 -0.816 . . . . 0.0 112.512 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.768 HD13 HG21 ' A' ' 103' ' ' VAL . 12.5 tp -56.84 -35.38 68.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.751 0.31 . . . . 0.0 110.622 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 50.7 t80 -64.52 -40.24 95.25 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.62 179.33 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -42.39 -51.69 4.84 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.629 -179.788 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.413 ' OH ' ' NE2' ' A' ' 91' ' ' GLN . 16.1 t80 -58.9 -35.1 72.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.035 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 86.5 mt -66.55 -60.19 2.95 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.797 0.332 . . . . 0.0 110.755 -179.714 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.814 ' HB1' ' O ' ' A' ' 69' ' ' VAL . . . -54.34 -45.07 72.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.349 179.724 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.37 -53.96 40.41 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.091 0.472 . . . . 0.0 110.519 179.819 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.528 ' HG2' HG13 ' A' ' 83' ' ' VAL . 5.4 tp10 -62.07 -41.47 98.19 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.017 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -77.2 -26.35 52.73 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.515 -179.403 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 64' ' ' ALA . . . 103.01 2.0 48.69 Favored Glycine 0 CA--C 1.521 0.429 0 C-N-CA 120.69 -0.767 . . . . 0.0 114.366 178.759 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.814 ' O ' ' HB1' ' A' ' 64' ' ' ALA . 31.6 m -102.96 173.41 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 117.244 0.522 . . . . 0.0 110.923 179.766 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -88.17 -179.63 46.98 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 121.146 -0.549 . . . . 0.0 114.117 -178.489 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.23 -16.41 61.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.332 -0.434 . . . . 0.0 111.643 178.754 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 7.4 p30 -111.73 14.41 21.13 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 111.622 0.231 . . . . 0.0 111.622 -179.679 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -93.79 -166.52 37.45 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.454 -0.879 . . . . 0.0 112.655 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -141.95 154.75 45.29 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.949 0.404 . . . . 0.0 111.369 -179.469 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.7 mp -113.15 136.61 52.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.362 179.56 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 5.6 p -83.84 -172.87 4.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.659 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.476 ' HB2' ' CD1' ' A' ' 13' ' ' PHE . 1.0 OUTLIER -81.45 -51.48 8.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.815 0.341 . . . . 0.0 110.453 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -55.5 -34.38 64.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.799 179.164 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -73.96 -42.06 61.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.947 179.125 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.465 ' CE1' ' OG1' ' A' ' 84' ' ' THR . 32.1 t80 -52.84 -51.42 61.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.79 179.194 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.781 HG23 HD13 ' A' ' 9' ' ' LEU . 10.7 mt -56.22 -49.14 77.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.215 -179.786 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.66 -50.61 72.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.327 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.528 HG13 ' HG2' ' A' ' 66' ' ' GLU . 32.4 t -72.89 -43.49 59.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.894 -179.406 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.465 ' OG1' ' CE1' ' A' ' 80' ' ' PHE . 79.5 m -60.6 -47.42 86.28 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.99 0.424 . . . . 0.0 110.229 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -53.03 -49.66 65.82 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.279 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.443 ' O ' ' N ' ' A' ' 90' ' ' GLU . 25.6 m120 -59.52 -40.06 85.9 Favored 'General case' 0 C--N 1.334 -0.083 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.346 -179.798 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 6.3 mt -58.33 -43.67 88.36 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.876 0.369 . . . . 0.0 110.28 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 10.2 mt -71.75 -34.5 52.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.247 179.757 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 30.6 m-85 -92.89 -74.81 0.51 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.606 -179.392 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 86' ' ' ASN . 0.0 OUTLIER -66.93 -157.17 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.981 -179.782 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.419 ' HB2' ' O ' ' A' ' 90' ' ' GLU . 3.3 mp0 70.32 -90.22 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.903 -179.741 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 128.69 -179.47 16.6 Favored Glycine 0 C--N 1.331 0.295 0 C-N-CA 120.202 -0.999 . . . . 0.0 113.172 179.638 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -59.05 -63.06 1.44 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.13 0.49 . . . . 0.0 110.874 179.66 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -59.03 -16.99 21.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.589 -0.732 . . . . 0.0 112.086 -179.334 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.91 -48.32 16.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.026 0.441 . . . . 0.0 110.454 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.596 ' CE1' HD22 ' A' ' 100' ' ' LEU . 0.3 OUTLIER -72.22 -38.01 69.08 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.823 179.591 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.445 ' HA ' HD13 ' A' ' 159' ' ' LEU . 16.8 m-20 -69.29 -35.65 76.24 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.396 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 5.7 mtp85 -62.14 -64.56 0.89 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.963 0.411 . . . . 0.0 111.482 -179.569 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 6.3 p -70.72 -39.69 76.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 112.842 0.682 . . . . 0.0 112.842 -177.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.596 HD22 ' CE1' ' A' ' 96' ' ' PHE . 2.7 tp -86.13 -26.58 25.14 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 119.967 -0.693 . . . . 0.0 112.217 -177.286 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -43.39 -62.87 2.31 Favored Glycine 0 CA--C 1.521 0.444 0 C-N-CA 120.521 -0.847 . . . . 0.0 112.329 179.465 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.441 ' O ' ' CB ' ' A' ' 55' ' ' ALA . 35.5 Cg_exo -59.02 -19.6 49.27 Favored 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 122.489 2.126 . . . . 0.0 112.049 179.432 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.768 HG21 HD13 ' A' ' 59' ' ' LEU . 6.2 t -78.15 -50.56 19.28 Favored 'Isoleucine or valine' 0 C--O 1.232 0.172 0 C-N-CA 120.857 -0.337 . . . . 0.0 110.829 -179.82 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.586 ' O ' HG23 ' A' ' 108' ' ' VAL . 59.0 t -69.66 -34.58 61.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.108 0.48 . . . . 0.0 110.263 178.874 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.83 -56.96 13.72 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.735 179.297 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -45.83 -35.58 6.12 Favored Glycine 0 C--N 1.331 0.255 0 C-N-CA 120.934 -0.65 . . . . 0.0 112.627 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.545 HG21 ' CZ2' ' A' ' 127' ' ' TRP . 13.5 mt -75.95 -39.01 36.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.628 0.251 . . . . 0.0 111.346 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.729 HG13 HD11 ' A' ' 119' ' ' ILE . 36.0 t -61.72 -35.05 65.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.965 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -61.67 -37.36 94.11 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.474 -0.869 . . . . 0.0 112.124 179.687 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -79.93 -26.47 40.11 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.525 0.202 . . . . 0.0 110.497 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 17.3 m -94.04 45.83 1.15 Allowed 'General case' 0 CA--C 1.52 -0.184 0 CA-C-O 121.334 0.588 . . . . 0.0 111.293 -178.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -166.68 108.33 0.69 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.221 -0.9 . . . . 0.0 110.313 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 2.3 mttp -95.03 3.35 54.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.425 179.041 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 25.4 p30 -104.37 -19.54 14.03 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-O 120.788 0.328 . . . . 0.0 110.596 179.484 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . 65.85 58.15 0.78 Allowed 'General case' 0 C--O 1.232 0.147 0 CA-C-N 116.283 -0.417 . . . . 0.0 112.006 179.099 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 55.6 p30 -114.59 -12.73 12.21 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.701 -0.227 . . . . 0.0 111.394 179.741 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 82.6 5.56 89.36 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.636 -0.793 . . . . 0.0 113.108 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -122.35 161.01 24.2 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.052 0.453 . . . . 0.0 111.516 -179.556 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.729 HD11 HG13 ' A' ' 108' ' ' VAL . 27.3 mm -108.81 99.99 9.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.823 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' ASN . . . . . 0.433 ' O ' ' N ' ' A' ' 123' ' ' GLU . 1.5 m120 -84.95 155.73 21.49 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 179.191 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -45.75 -36.63 5.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.582 0.23 . . . . 0.0 111.531 -178.707 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -70.1 -28.74 65.65 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.696 0.284 . . . . 0.0 110.371 179.305 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 120' ' ' ASN . 35.7 mt-10 -83.66 -47.62 11.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.614 -0.266 . . . . 0.0 110.782 179.331 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -55.8 -44.46 77.81 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.126 0.489 . . . . 0.0 110.453 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -58.21 -43.99 87.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.08 179.795 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -54.57 -32.7 59.01 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 115.921 -0.581 . . . . 0.0 112.553 -179.4 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' TRP . . . . . 0.688 ' CH2' HD11 ' A' ' 174' ' ' LEU . 15.8 t90 -89.49 -32.82 17.02 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.708 0.29 . . . . 0.0 111.671 -178.671 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.633 HD23 ' HG3' ' A' ' 133' ' ' MET . 0.1 OUTLIER -63.77 -46.18 86.4 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.922 0.391 . . . . 0.0 110.724 179.838 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 129' ' ' THR . . . . . 0.434 ' HA ' ' O ' ' A' ' 133' ' ' MET . 36.0 p -69.8 -22.34 63.32 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.994 178.704 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 130' ' ' ALA . . . . . 0.403 ' HB3' ' O ' ' A' ' 127' ' ' TRP . . . -66.36 -39.11 88.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.433 179.72 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.602 HD11 ' NE1' ' A' ' 127' ' ' TRP . 1.3 mt -88.36 -4.99 58.57 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 112.781 0.66 . . . . 0.0 112.781 -178.307 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 114.7 25.98 3.78 Favored Glycine 0 CA--C 1.517 0.218 0 C-N-CA 119.813 -1.185 . . . . 0.0 113.972 178.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' MET . . . . . 0.633 ' HG3' HD23 ' A' ' 128' ' ' LEU . 2.9 mmt -104.2 152.44 22.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 117.529 0.665 . . . . 0.0 110.615 179.422 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.18 160.07 24.45 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.863 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 3.2 mtpp -64.28 -22.13 66.84 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 111.952 0.353 . . . . 0.0 111.952 -178.849 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -81.71 -25.64 35.29 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.854 0.359 . . . . 0.0 111.403 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -73.19 -40.18 64.99 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.45 -179.63 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 138' ' ' ALA . . . . . 0.481 ' HA ' HD13 ' A' ' 128' ' ' LEU . . . -61.08 -56.22 23.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.866 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -47.51 -42.22 22.65 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.965 179.718 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -70.91 -45.32 64.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.334 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 141' ' ' ALA . . . . . 0.783 ' O ' HG23 ' A' ' 145' ' ' VAL . . . -64.04 -33.97 76.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.198 -179.524 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 81.1 t80 -56.69 -60.51 3.45 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.117 0.484 . . . . 0.0 110.197 179.327 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 67.6 m-20 -56.67 -34.95 67.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.542 -0.754 . . . . 0.0 112.537 -179.552 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 144' ' ' GLN . . . . . 0.451 ' HG3' HD13 ' A' ' 170' ' ' LEU . 2.3 pt20 -69.75 -28.58 65.9 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-O 120.725 0.298 . . . . 0.0 111.339 -179.005 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 0.783 HG23 ' O ' ' A' ' 141' ' ' ALA . 44.6 t -85.78 -35.84 9.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.176 -0.466 . . . . 0.0 112.044 -178.465 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.75 78.08 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.047 0.451 . . . . 0.0 111.138 -179.388 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 147' ' ' THR . . . . . 0.448 ' N ' ' O ' ' A' ' 145' ' ' VAL . 0.0 OUTLIER -56.86 -31.36 64.72 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.675 179.463 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 48.6 p30 -97.85 5.11 49.45 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.23 -0.441 . . . . 0.0 112.074 -178.72 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 39.79 37.73 0.99 Allowed Glycine 0 C--N 1.335 0.511 0 C-N-CA 121.097 -0.573 . . . . 0.0 113.151 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 27.9 p-10 -92.89 -6.61 48.26 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 111.596 0.221 . . . . 0.0 111.596 -179.692 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 89.58 3.54 74.46 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.547 -0.835 . . . . 0.0 113.424 179.147 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -134.0 135.49 43.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 117.426 0.613 . . . . 0.0 110.772 179.751 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 153' ' ' LEU . 32.6 mt -102.91 100.04 9.98 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.915 178.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 23.9 p -88.29 171.77 9.93 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.281 0.562 . . . . 0.0 111.887 -178.787 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -50.79 -45.27 59.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.406 -0.815 . . . . 0.0 111.667 -179.604 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -57.15 -55.55 33.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.335 0.588 . . . . 0.0 111.106 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -64.79 -17.58 64.32 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.407 -0.815 . . . . 0.0 112.517 -178.496 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 158' ' ' LEU . . . . . 0.619 ' O ' HG23 ' A' ' 162' ' ' VAL . 1.6 mt -72.6 -65.44 0.79 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.915 0.388 . . . . 0.0 110.944 179.479 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.445 HD13 ' HA ' ' A' ' 97' ' ' ASN . 3.0 mt -43.59 -45.76 6.87 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.054 -179.722 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -50.95 -59.76 3.8 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.367 179.777 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 161' ' ' ALA . . . . . 0.673 ' HB2' HG13 ' A' ' 145' ' ' VAL . . . -60.46 -40.64 91.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.544 179.066 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 162' ' ' VAL . . . . . 0.747 HG22 HD13 ' A' ' 174' ' ' LEU . 93.7 t -51.64 -27.1 7.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.814 179.464 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 30.2 ttm180 -42.75 127.44 3.96 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.215 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -47.42 172.14 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.519 -179.623 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 165' ' ' PHE . . . . . 0.431 ' CZ ' ' HG3' ' A' ' 8' ' ' ARG . 2.0 p90 -61.59 177.54 0.39 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.439 -0.801 . . . . 0.0 111.191 -179.851 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 166' ' ' HIS . . . . . 0.438 ' O ' ' N ' ' A' ' 168' ' ' GLY . 0.1 OUTLIER -166.29 -161.61 0.48 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.336 -179.73 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 167' ' ' PHE . . . . . . . . . . . . . 5.7 p90 -54.27 88.37 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.837 0.351 . . . . 0.0 110.473 179.647 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 168' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 166' ' ' HIS . . . 57.47 51.71 56.11 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.474 -0.87 . . . . 0.0 112.023 -179.421 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 169' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.11 -178.84 0.09 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.936 0.398 . . . . 0.0 111.489 -179.578 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 170' ' ' LEU . . . . . 0.726 HD12 HG23 ' A' ' 172' ' ' VAL . 0.0 OUTLIER -74.25 -92.36 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.127 -179.667 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -177.36 54.6 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.871 0.367 . . . . 0.0 111.313 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 172' ' ' VAL . . . . . 0.726 HG23 HD12 ' A' ' 170' ' ' LEU . 73.7 t -106.49 -77.3 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.105 179.264 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 70.44 -67.0 0.26 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.126 179.087 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 174' ' ' LEU . . . . . 0.747 HD13 HG22 ' A' ' 162' ' ' VAL . 6.9 tt 46.77 96.97 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.884 0.373 . . . . 0.0 111.297 179.74 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 175' ' ' LEU . . . . . 0.746 HD23 ' O ' ' A' ' 174' ' ' LEU . 13.0 mt -144.27 -49.89 0.28 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.141 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 176' ' ' GLY . . . . . 0.51 ' O ' HD22 ' A' ' 131' ' ' LEU . . . . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.4 -1.222 . . . . 0.0 112.505 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 500' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 501' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 502' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 1.8 t . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.789 0.328 . . . . 0.0 111.115 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.58 ' O ' ' HB3' ' A' ' 3' ' ' ALA . 0.3 OUTLIER 63.54 16.33 9.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.214 -179.897 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.58 ' HB3' ' O ' ' A' ' 2' ' ' THR . . . 80.83 173.3 0.12 Allowed 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 120.96 0.41 . . . . 0.0 111.442 179.717 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 30.2 mm -80.67 -28.56 11.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.228 179.735 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.25 -37.5 87.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.9 -179.403 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.9 t -59.68 -59.09 6.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.888 0.375 . . . . 0.0 110.862 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -45.3 -49.04 13.0 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.742 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.49 -46.15 89.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.68 -179.098 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.46 HD13 HG23 ' A' ' 81' ' ' ILE . 55.0 mt -76.08 -33.04 59.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.79 0.328 . . . . 0.0 111.223 -179.162 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.26 -47.99 83.49 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.459 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.5 mttt -66.25 -44.94 82.25 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.59 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.1 -28.66 1.84 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.723 179.598 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 43.1 t80 -75.36 -53.03 9.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.382 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -67.75 -28.3 67.52 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.543 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.7 ttp180 -76.55 -17.96 58.94 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.279 179.675 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -116.85 83.15 1.92 Allowed 'General case' 0 N--CA 1.455 -0.223 0 CA-C-O 121.079 0.466 . . . . 0.0 110.844 -179.839 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -153.41 86.36 1.22 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.574 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -52.92 -50.77 63.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.419 -0.81 . . . . 0.0 112.009 -178.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 26.6 p-10 -99.22 -11.32 21.42 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 -179.121 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 69.34 42.88 72.82 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.405 -0.902 . . . . 0.0 112.112 -179.691 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 20.0 p-10 -89.34 -4.85 57.93 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 111.81 0.3 . . . . 0.0 111.81 -179.322 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 82.17 18.98 65.78 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.561 -0.828 . . . . 0.0 112.811 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.513 ' HB1' ' HB3' ' A' ' 74' ' ' SER . . . -154.66 179.61 8.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.621 0.248 . . . . 0.0 110.552 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.3 tp -118.75 123.31 44.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.737 0.303 . . . . 0.0 110.63 179.772 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -115.76 170.7 8.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.015 0.436 . . . . 0.0 110.395 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.422 ' HA ' ' CD2' ' A' ' 60' ' ' PHE . 0.0 OUTLIER -69.59 -30.6 68.4 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.634 179.795 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.38 -16.26 63.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.132 179.585 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.29 -33.61 63.29 Favored 'General case' 0 C--O 1.232 0.146 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 179.095 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.425 ' HB3' ' HB3' ' A' ' 56' ' ' PHE . 57.1 m-85 -75.21 -41.18 58.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.386 179.561 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -64.47 -39.92 94.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.959 179.376 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 55.7 mttm -66.44 -40.54 89.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.127 0.489 . . . . 0.0 109.805 179.107 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.419 ' O ' HG13 ' A' ' 36' ' ' ILE . 4.9 tp10 -53.06 -60.46 3.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.063 179.432 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -45.2 -49.33 12.29 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.902 0.382 . . . . 0.0 111.316 179.768 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -62.37 -47.41 84.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.273 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 1.7 t-160 -57.04 -42.78 81.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.803 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.419 HG13 ' O ' ' A' ' 32' ' ' GLU . 19.9 mt -64.05 -56.28 17.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.719 179.652 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.461 ' HB1' HG22 ' A' ' 49' ' ' VAL . . . -42.48 -39.18 2.16 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 121.09 0.471 . . . . 0.0 111.021 179.652 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.38 -39.4 90.56 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.258 179.617 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.39 -25.94 64.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.971 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.429 ' CZ ' ' SG ' ' A' ' 111' ' ' CYS . 1.8 m-85 -91.94 3.21 55.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.389 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 51.68 72.01 0.57 Allowed Glycine 0 C--N 1.333 0.387 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.98 179.512 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -150.45 28.89 0.71 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.76 0.314 . . . . 0.0 110.377 179.716 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 60.48 131.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.187 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.91 -8.75 39.3 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.703 -0.68 . . . . 0.0 112.265 -179.483 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -104.06 13.86 52.3 Favored Glycine 0 CA--C 1.52 0.377 0 C-N-CA 120.216 -0.992 . . . . 0.0 114.146 -178.694 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.722 ' HB3' HG23 ' A' ' 49' ' ' VAL . . . -68.92 171.76 7.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 117.241 0.52 . . . . 0.0 111.151 179.416 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.59 -45.91 67.51 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.096 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -63.57 -20.89 66.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.499 -179.298 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.722 HG23 ' HB3' ' A' ' 46' ' ' ALA . 14.6 t -76.88 -45.73 30.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 179.521 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 36.2 tp60 -60.06 -39.1 84.86 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 178.733 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 14.6 m -57.42 -59.62 4.87 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.667 179.298 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 24.9 tp -50.69 -57.28 8.67 Favored 'General case' 0 C--N 1.332 -0.163 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.408 -179.525 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 11.0 tttp -49.78 -43.58 48.39 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.714 0.292 . . . . 0.0 110.436 179.44 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -57.65 -43.4 84.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.033 179.508 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.31 -51.47 36.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.681 179.331 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.425 ' HB3' ' HB3' ' A' ' 29' ' ' PHE . 0.1 OUTLIER -52.44 -28.49 20.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.601 179.689 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -67.55 -52.28 31.3 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.55 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -57.76 -28.42 60.27 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.643 -0.789 . . . . 0.0 111.999 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 51.5 tp -59.34 -39.24 82.54 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.712 0.291 . . . . 0.0 110.813 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.422 ' CD2' ' HA ' ' A' ' 26' ' ' ARG . 11.8 t80 -61.13 -43.48 98.82 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.239 179.468 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -43.87 -42.59 5.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.761 0.315 . . . . 0.0 111.11 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.433 ' O ' ' HB2' ' A' ' 66' ' ' GLU . 13.7 t80 -59.25 -41.87 89.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.493 179.613 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 59.5 mt -63.64 -54.29 38.02 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.115 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.709 ' HB1' ' O ' ' A' ' 69' ' ' VAL . . . -53.81 -48.72 69.6 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 16.0 tttt -64.4 -50.84 66.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.734 0.302 . . . . 0.0 111.386 -179.433 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.433 ' HB2' ' O ' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -62.64 -40.24 96.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.254 179.733 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -78.55 -25.33 45.41 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.815 0.341 . . . . 0.0 111.607 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 101.02 6.93 51.24 Favored Glycine 0 CA--C 1.52 0.397 0 C-N-CA 120.612 -0.804 . . . . 0.0 113.946 179.036 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.709 ' O ' ' HB1' ' A' ' 64' ' ' ALA . 35.2 m -106.04 170.92 2.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.845 0.322 . . . . 0.0 110.487 179.494 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -86.9 178.58 48.44 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.875 -0.679 . . . . 0.0 114.122 -178.45 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 54.5 m -65.21 -13.14 57.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.266 -0.467 . . . . 0.0 111.097 178.207 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -112.49 12.63 20.02 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 116.776 -0.193 . . . . 0.0 111.496 -179.746 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -94.66 -165.18 35.87 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.469 -0.872 . . . . 0.0 112.779 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.513 ' HB3' ' HB1' ' A' ' 23' ' ' ALA . 0.4 OUTLIER -144.15 157.04 44.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.845 0.355 . . . . 0.0 110.924 -179.759 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.7 mp -118.07 142.54 47.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.535 179.325 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 59.6 p -86.77 169.11 12.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.934 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -60.38 -48.51 81.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.609 179.702 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -59.11 -33.46 70.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.798 179.645 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.401 ' O ' HG12 ' A' ' 83' ' ' VAL . 1.1 mt-30 -73.21 -42.9 62.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.022 0.439 . . . . 0.0 110.189 179.336 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.424 ' CD1' ' OG1' ' A' ' 84' ' ' THR . 7.4 t80 -52.27 -52.78 50.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.606 179.364 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.46 HG23 HD13 ' A' ' 9' ' ' LEU . 62.7 mt -51.31 -53.78 14.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.877 -179.455 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -55.94 -57.19 13.13 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.395 0.517 . . . . 0.0 112.395 -179.036 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.401 HG12 ' O ' ' A' ' 79' ' ' GLN . 13.9 p -70.48 -36.73 67.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 111.957 0.354 . . . . 0.0 111.957 -179.059 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.424 ' OG1' ' CD1' ' A' ' 80' ' ' PHE . 99.6 m -62.7 -46.88 86.08 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.836 0.35 . . . . 0.0 110.143 179.753 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.41 ' HB2' ' O ' ' A' ' 81' ' ' ILE . 0.4 OUTLIER -49.69 -49.78 46.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.454 -179.743 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -58.29 -34.93 71.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.714 -179.25 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 6.2 mt -59.8 -48.78 80.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.767 0.317 . . . . 0.0 111.077 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 3.0 mt -73.67 -39.34 53.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.085 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 -88.06 -84.49 0.2 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.786 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -62.2 -161.88 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.821 0.343 . . . . 0.0 110.718 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 74.01 125.96 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.962 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -61.02 159.02 28.96 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.714 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.88 -54.41 45.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.887 0.375 . . . . 0.0 111.172 -179.658 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.86 -11.12 11.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.017 -0.538 . . . . 0.0 112.398 -179.682 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.8 t -74.56 -44.39 51.21 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.928 0.394 . . . . 0.0 111.016 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.531 ' CE1' HD22 ' A' ' 100' ' ' LEU . 0.2 OUTLIER -68.34 -42.71 78.9 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.096 0.474 . . . . 0.0 110.8 179.902 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 41.8 t30 -67.15 -35.42 79.66 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.342 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.89 -62.69 1.48 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.93 -179.456 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 21.6 t -74.3 -36.21 42.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 N-CA-C 112.64 0.607 . . . . 0.0 112.64 -177.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.531 HD22 ' CE1' ' A' ' 96' ' ' PHE . 5.4 tp -89.17 -27.11 20.9 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 119.72 -0.792 . . . . 0.0 111.806 -178.165 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.452 ' N ' ' HD2' ' A' ' 102' ' ' PRO . . . -40.55 -58.58 2.5 Favored Glycine 0 CA--C 1.522 0.501 0 C-N-CA 121.114 -0.565 . . . . 0.0 112.847 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.452 ' HD2' ' N ' ' A' ' 101' ' ' GLY . 29.4 Cg_endo -65.03 -11.39 29.61 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.55 2.167 . . . . 0.0 112.405 179.564 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 48.0 t -80.57 -54.98 9.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.933 0.397 . . . . 0.0 110.841 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.415 HG11 HD22 ' A' ' 158' ' ' LEU . 3.3 t -69.39 -35.82 68.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.89 179.771 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 21.6 mtpt -56.57 -55.26 36.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.82 179.542 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -46.09 -32.1 4.71 Favored Glycine 0 C--N 1.332 0.336 0 C-N-CA 121.04 -0.6 . . . . 0.0 112.788 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 42.9 mt -73.56 -40.37 55.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.134 0.492 . . . . 0.0 110.752 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.765 HG22 HD11 ' A' ' 119' ' ' ILE . 33.6 t -63.96 -35.02 72.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.659 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -65.41 -36.45 92.65 Favored Glycine 0 CA--C 1.518 0.253 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.858 -179.671 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 14.8 ptp -79.28 -24.95 42.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.799 0.299 . . . . 0.0 110.993 -179.349 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' CYS . . . . . 0.482 ' O ' ' N ' ' A' ' 113' ' ' LYS . 35.6 t -95.26 -84.99 0.33 Allowed 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.51 0.559 . . . . 0.0 112.51 -178.156 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' ASP . . . . . 0.459 ' O ' ' HB2' ' A' ' 113' ' ' LYS . 3.9 m-20 19.35 -81.02 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 124.332 1.053 . . . . 0.0 112.449 -178.587 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' A' ' 111' ' ' CYS . 0.1 OUTLIER 91.69 -20.77 0.11 Allowed 'General case' 0 N--CA 1.457 -0.124 0 C-N-CA 124.274 1.03 . . . . 0.0 111.422 -178.984 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 114' ' ' ASN . . . . . 0.411 ' O ' ' HB3' ' A' ' 115' ' ' ALA . 6.1 p30 -107.35 -22.45 12.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.669 0.271 . . . . 0.0 110.535 179.445 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.411 ' HB3' ' O ' ' A' ' 114' ' ' ASN . . . 67.42 64.66 0.41 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.655 179.462 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 37.7 p30 -125.28 -8.77 7.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.733 179.309 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 79.55 8.16 87.95 Favored Glycine 0 C--N 1.333 0.392 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.973 179.713 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.88 165.5 15.11 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.051 0.453 . . . . 0.0 111.394 -179.545 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.795 HG13 HD11 ' A' ' 158' ' ' LEU . 38.4 mm -110.33 98.53 7.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.832 -179.698 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -85.43 158.8 20.12 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 179.32 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.434 ' HA ' ' CD1' ' A' ' 142' ' ' PHE . . . -48.77 -37.25 18.49 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 111.567 0.21 . . . . 0.0 111.567 -178.862 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -70.23 -26.67 63.96 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 179.207 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -83.96 -46.8 11.68 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 178.819 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' PHE . . . . . 0.485 ' CE2' HD11 ' A' ' 128' ' ' LEU . 3.8 t80 -56.46 -52.41 64.78 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.962 0.411 . . . . 0.0 110.915 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.557 ' HA ' ' HB1' ' A' ' 138' ' ' ALA . . . -54.98 -44.21 74.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.075 -179.84 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -55.35 -32.45 62.56 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.519 -179.712 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' TRP . . . . . 0.472 ' O ' ' HB3' ' A' ' 130' ' ' ALA . 13.3 t90 -86.53 -40.67 15.02 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 111.62 0.23 . . . . 0.0 111.62 -179.129 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.485 HD11 ' CE2' ' A' ' 124' ' ' PHE . 0.2 OUTLIER -59.56 -42.82 93.29 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.021 0.438 . . . . 0.0 109.84 179.88 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 129' ' ' THR . . . . . 0.416 ' HA ' ' O ' ' A' ' 133' ' ' MET . 65.3 p -71.72 -22.92 61.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.911 178.4 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 130' ' ' ALA . . . . . 0.472 ' HB3' ' O ' ' A' ' 127' ' ' TRP . . . -66.41 -38.55 87.71 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.757 179.458 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 48.6 mt -84.82 -4.37 59.05 Favored 'General case' 0 CA--C 1.529 0.16 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 -178.609 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 112.67 25.82 4.43 Favored Glycine 0 C--N 1.332 0.321 0 C-N-CA 120.168 -1.015 . . . . 0.0 113.815 178.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' MET . . . . . 0.423 ' CG ' ' O ' ' A' ' 128' ' ' LEU . 3.4 mmt -100.08 154.25 18.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 117.159 0.479 . . . . 0.0 110.34 179.256 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -80.25 179.01 7.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.804 0.335 . . . . 0.0 111.147 -179.458 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.93 -32.61 45.67 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.842 -179.181 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -76.56 -26.06 54.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.856 0.36 . . . . 0.0 111.42 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -73.89 -44.98 53.53 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.944 -179.214 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 138' ' ' ALA . . . . . 0.557 ' HB1' ' HA ' ' A' ' 125' ' ' ALA . . . -58.05 -52.07 67.04 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.911 0.386 . . . . 0.0 110.671 -179.564 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -49.72 -40.4 40.48 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.105 179.399 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -71.6 -44.07 65.09 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.768 -179.515 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 141' ' ' ALA . . . . . 0.752 ' O ' HG23 ' A' ' 145' ' ' VAL . . . -63.6 -36.72 84.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.52 -179.077 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 142' ' ' PHE . . . . . 0.434 ' CD1' ' HA ' ' A' ' 121' ' ' ALA . 74.0 t80 -55.49 -59.85 4.25 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.652 179.605 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 32.5 m-80 -56.37 -35.38 67.64 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.852 -179.528 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -65.13 -34.18 77.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.505 -179.441 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 0.882 HG13 ' HB2' ' A' ' 161' ' ' ALA . 12.4 t -85.15 -34.32 8.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 112.577 0.584 . . . . 0.0 112.577 -178.429 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.1 78.35 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 121.141 0.496 . . . . 0.0 111.209 -179.081 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 147' ' ' THR . . . . . 0.457 ' N ' ' O ' ' A' ' 145' ' ' VAL . 4.0 m -56.39 -33.83 66.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.405 -0.816 . . . . 0.0 112.955 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 31.0 p30 -95.92 7.41 46.44 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.491 0.552 . . . . 0.0 112.491 -178.205 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 43.01 28.25 0.7 Allowed Glycine 0 C--N 1.332 0.325 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.844 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 28.4 p-10 -86.58 -7.04 58.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.774 0.321 . . . . 0.0 110.87 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 86.98 7.02 78.41 Favored Glycine 0 N--CA 1.444 -0.789 0 C-N-CA 120.691 -0.766 . . . . 0.0 113.108 179.337 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 74.9 mt-10 -133.07 133.45 43.02 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 117.528 0.664 . . . . 0.0 110.851 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 0.433 ' HB2' ' HB ' ' A' ' 119' ' ' ILE . 43.7 mt -98.37 101.5 12.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.154 179.11 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 9.6 p -89.19 167.48 13.07 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.242 0.544 . . . . 0.0 112.165 -178.807 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -49.91 -46.07 51.57 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.35 -0.841 . . . . 0.0 111.292 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -57.44 -54.76 43.21 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.066 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -64.67 -19.34 65.67 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.731 -0.668 . . . . 0.0 112.441 -178.775 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 158' ' ' LEU . . . . . 0.795 HD11 HG13 ' A' ' 119' ' ' ILE . 0.2 OUTLIER -72.01 -56.9 4.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.663 179.562 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.409 ' N ' HD23 ' A' ' 159' ' ' LEU . 2.5 mt -51.92 -50.88 60.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.253 -179.645 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -50.64 -52.05 43.24 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.949 0.404 . . . . 0.0 110.877 -179.677 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 161' ' ' ALA . . . . . 0.882 ' HB2' HG13 ' A' ' 145' ' ' VAL . . . -58.48 -37.23 75.08 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.973 179.755 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 162' ' ' VAL . . . . . 0.653 HG23 ' O ' ' A' ' 158' ' ' LEU . 63.9 t -53.58 -39.56 38.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.247 179.785 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.35 62.63 6.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.315 -179.667 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 164' ' ' ASP . . . . . 0.455 ' OD1' HD21 ' A' ' 170' ' ' LEU . 3.7 m-20 -146.67 53.25 1.1 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.692 179.6 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 165' ' ' PHE . . . . . 0.49 ' CG ' ' O ' ' A' ' 165' ' ' PHE . 11.9 p90 -156.8 112.32 2.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.412 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 3.4 t-80 -179.18 -63.67 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.135 -179.643 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 167' ' ' PHE . . . . . . . . . . . . . 17.7 p90 -104.3 -21.7 13.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.12 -179.592 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . 177.78 81.65 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.444 -0.884 . . . . 0.0 112.804 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 169' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.19 140.47 26.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.763 0.316 . . . . 0.0 110.398 179.714 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 170' ' ' LEU . . . . . 0.455 HD21 ' OD1' ' A' ' 164' ' ' ASP . 0.6 OUTLIER -101.28 45.93 0.95 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.356 -179.487 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 72.15 25.45 2.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.496 179.554 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 172' ' ' VAL . . . . . 0.583 HG11 ' O ' ' A' ' 161' ' ' ALA . 98.2 t -108.61 -80.03 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.572 0.225 . . . . 0.0 111.438 179.807 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 57.56 -160.29 0.24 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.709 0.29 . . . . 0.0 110.379 -179.591 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 174' ' ' LEU . . . . . 0.434 HD13 HG22 ' A' ' 162' ' ' VAL . 50.8 tp -141.08 -51.98 0.45 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.827 179.791 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 175' ' ' LEU . . . . . . . . . . . . . 55.1 mt -97.36 -178.45 4.16 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.099 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.421 -1.211 . . . . 0.0 112.462 -179.853 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 500' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 501' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 502' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 50.6 m . . . . . 0 N--CA 1.488 1.439 0 CA-C-O 120.707 0.289 . . . . 0.0 111.068 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.4 t -173.24 -170.91 0.67 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.191 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 65.34 -76.62 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.156 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 23.9 mm -72.09 -37.0 58.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.235 179.599 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.452 ' HA ' ' NE2' ' A' ' 166' ' ' HIS . . . -63.44 -52.31 62.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.701 -0.682 . . . . 0.0 111.433 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.416 ' O ' ' HB2' ' A' ' 10' ' ' LYS . 2.4 p -58.98 -52.16 66.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.818 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.69 -52.77 54.55 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.634 -179.644 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.59 -46.07 90.01 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 -178.612 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.943 HD13 HG23 ' A' ' 81' ' ' ILE . 13.7 mt -75.27 -33.14 61.22 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 121.075 -0.25 . . . . 0.0 111.5 -178.871 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.416 ' HB2' ' O ' ' A' ' 6' ' ' SER . 0.6 OUTLIER -61.04 -44.64 97.09 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.844 0.354 . . . . 0.0 110.602 179.742 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.414 ' O ' ' N ' ' A' ' 15' ' ' ARG . 5.0 mmtm -68.65 -45.1 72.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.182 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -46.77 -33.86 4.76 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.983 0.42 . . . . 0.0 111.006 179.678 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -74.81 -54.53 7.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.874 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -69.51 -17.89 63.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.311 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.414 ' N ' ' O ' ' A' ' 11' ' ' LYS . 2.5 ttt180 -72.63 -21.94 61.03 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.723 0.297 . . . . 0.0 111.066 -179.646 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 43.1 m95 -97.02 -100.23 0.19 Allowed 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.875 179.652 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 42.25 72.04 0.19 Allowed 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 121.144 0.497 . . . . 0.0 111.413 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -53.91 -50.35 66.59 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.77 -178.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 41.1 p-10 -97.84 -11.88 22.77 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 111.767 0.284 . . . . 0.0 111.767 -179.594 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 78.33 43.48 12.88 Favored Glycine 0 C--N 1.331 0.28 0 C-N-CA 120.535 -0.84 . . . . 0.0 111.9 -179.294 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 32.3 p-10 -93.1 -12.62 30.04 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 111.855 0.317 . . . . 0.0 111.855 -179.488 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 81.69 20.83 62.92 Favored Glycine 0 C--N 1.332 0.309 0 C-N-CA 120.533 -0.842 . . . . 0.0 112.523 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.563 ' HB1' ' HB2' ' A' ' 74' ' ' SER . . . -153.92 173.35 16.07 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.654 0.264 . . . . 0.0 110.561 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 43.2 mt -113.89 115.13 27.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.8 0.333 . . . . 0.0 110.307 179.435 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -114.24 171.29 7.7 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.08 0.467 . . . . 0.0 110.425 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 8.4 ttt-85 -64.44 -32.06 73.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.568 179.617 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.11 -21.46 64.04 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.681 -0.691 . . . . 0.0 111.618 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.01 -32.48 70.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.798 0.332 . . . . 0.0 110.156 179.797 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 73.6 m-85 -78.4 -40.88 34.76 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.367 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 -62.25 -37.71 86.48 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.63 -0.259 . . . . 0.0 110.408 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -65.89 -44.4 85.39 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.967 0.413 . . . . 0.0 110.115 179.505 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.422 ' O ' HG12 ' A' ' 36' ' ' ILE . 0.6 OUTLIER -52.45 -53.15 49.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.512 179.834 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -50.44 -51.55 45.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.809 0.338 . . . . 0.0 110.734 179.48 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.54 -49.39 77.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.162 179.539 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 35.5 t-80 -51.99 -27.1 12.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.374 179.668 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.422 HG12 ' O ' ' A' ' 32' ' ' GLU . 17.6 mm -79.23 -53.45 13.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.023 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -46.12 -44.65 15.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.607 -179.713 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.77 -40.99 97.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.616 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -54.4 -24.15 18.66 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.722 0.296 . . . . 0.0 110.858 -179.367 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -91.85 5.05 51.42 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.496 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 57.7 16.69 24.38 Favored Glycine 0 C--N 1.336 0.538 0 C-N-CA 120.85 -0.69 . . . . 0.0 112.776 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.85 -153.3 0.35 Allowed 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 110.34 -0.244 . . . . 0.0 110.34 179.73 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -70.51 -163.5 0.07 Allowed 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.863 0.363 . . . . 0.0 111.088 -179.592 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.449 ' O ' HG11 ' A' ' 49' ' ' VAL . . . -141.4 -58.93 0.49 Allowed 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 178.131 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -92.94 22.8 32.24 Favored Glycine 0 N--CA 1.453 -0.222 0 CA-C-N 114.962 -1.017 . . . . 0.0 112.08 179.591 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.55 -163.76 0.06 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 117.343 0.571 . . . . 0.0 110.894 179.51 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -83.66 -51.77 7.0 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.848 0.356 . . . . 0.0 110.681 179.379 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.409 ' O ' HG22 ' A' ' 51' ' ' THR . 3.5 mp0 -54.48 -34.38 61.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.229 -179.549 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.449 HG11 ' O ' ' A' ' 44' ' ' ALA . 3.2 t -77.72 -43.1 29.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.004 179.569 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.08 -44.61 95.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.224 178.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.445 HG23 ' N ' ' A' ' 52' ' ' LEU . 14.4 t -61.62 -49.81 75.1 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.084 179.749 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.445 ' N ' HG23 ' A' ' 51' ' ' THR . 9.4 tp -53.89 -58.75 6.11 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 179.536 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.46 -37.41 56.98 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.353 179.038 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -57.66 -41.5 81.64 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.923 0.392 . . . . 0.0 110.231 179.669 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.71 -40.2 84.29 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.944 179.487 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -59.95 -32.8 71.15 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -62.81 -49.56 71.7 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.535 -0.84 . . . . 0.0 112.096 179.731 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -57.93 -33.93 70.28 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.717 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.45 ' O ' HD23 ' A' ' 59' ' ' LEU . 6.3 tt -55.65 -38.71 69.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.948 0.404 . . . . 0.0 110.481 179.69 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 37.5 t80 -62.18 -46.49 88.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.089 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -42.57 -48.61 5.4 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.495 -179.722 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.471 ' CE1' ' OE1' ' A' ' 66' ' ' GLU . 4.4 t80 -57.77 -37.98 74.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.103 -179.864 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 20.5 mt -66.47 -59.3 3.79 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.832 0.349 . . . . 0.0 110.956 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.813 ' HB1' ' O ' ' A' ' 69' ' ' VAL . . . -50.36 -46.21 55.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.816 -179.565 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.87 -51.1 61.64 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.939 0.399 . . . . 0.0 111.05 -179.793 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.471 ' OE1' ' CE1' ' A' ' 62' ' ' TYR . 2.6 tp10 -62.32 -40.65 97.05 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.886 179.649 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -79.09 -26.06 43.01 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.686 -179.56 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 103.16 4.37 47.6 Favored Glycine 0 CA--C 1.519 0.323 0 C-N-CA 120.527 -0.844 . . . . 0.0 113.857 179.066 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.813 ' O ' ' HB1' ' A' ' 64' ' ' ALA . 32.5 m -104.75 171.52 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.936 0.368 . . . . 0.0 110.565 179.531 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -88.24 -179.39 46.93 Favored Glycine 0 C--N 1.331 0.3 0 C-N-CA 120.837 -0.697 . . . . 0.0 113.978 -178.588 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.95 -12.64 52.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.402 -0.399 . . . . 0.0 111.153 178.296 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -113.45 13.89 18.99 Favored 'General case' 0 CA--C 1.53 0.175 0 N-CA-C 111.509 0.189 . . . . 0.0 111.509 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -94.54 -165.93 36.23 Favored Glycine 0 C--N 1.331 0.276 0 C-N-CA 120.451 -0.881 . . . . 0.0 112.809 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.563 ' HB2' ' HB1' ' A' ' 23' ' ' ALA . 0.1 OUTLIER -142.31 154.35 44.62 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.14 0.495 . . . . 0.0 111.729 -179.128 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -113.62 137.93 50.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.064 179.205 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 56.9 p -85.59 167.2 15.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.658 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -58.85 -50.83 72.51 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.045 0.45 . . . . 0.0 110.508 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -58.12 -32.78 68.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.648 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -73.62 -42.5 61.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.087 179.125 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -53.31 -52.76 58.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.964 179.513 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.943 HG23 HD13 ' A' ' 9' ' ' LEU . 56.7 mt -53.47 -51.57 40.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.766 -179.42 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 93.4 mtt180 -55.85 -54.35 45.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.618 -179.555 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 45.1 t -70.58 -35.89 63.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 C-N-CA 120.965 -0.294 . . . . 0.0 111.277 -179.557 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 28.9 m -61.78 -47.91 83.03 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 179.249 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -46.06 -57.39 4.49 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.111 179.343 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.433 ' O ' ' N ' ' A' ' 90' ' ' GLU . 0.9 OUTLIER -59.74 -35.91 75.54 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.372 -179.849 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.1 mt -58.94 -45.21 91.01 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.884 0.374 . . . . 0.0 110.586 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 5.2 mt -74.39 -38.86 47.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.523 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 -91.27 -79.15 0.37 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 86' ' ' ASN . 1.7 tt0 -57.19 -159.51 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.948 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 68.3 -89.2 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.767 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 129.8 -179.89 16.48 Favored Glycine 0 C--N 1.331 0.298 0 C-N-CA 120.105 -1.045 . . . . 0.0 113.42 179.678 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -60.44 -65.18 0.73 Allowed 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.192 0.442 . . . . 0.0 112.192 -179.533 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -55.07 -18.28 5.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.769 -0.65 . . . . 0.0 112.641 -178.393 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 65.2 m -77.1 -46.5 23.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.975 0.417 . . . . 0.0 110.385 179.568 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -71.5 -40.12 70.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.905 179.487 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 23.8 t30 -68.69 -36.25 78.24 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.005 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 66.4 ttt180 -63.01 -60.49 3.38 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.561 -179.519 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 46.3 t -76.0 -35.84 30.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 N-CA-C 112.489 0.552 . . . . 0.0 112.489 -178.31 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 9.9 tp -88.97 -25.97 21.75 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 119.668 -0.813 . . . . 0.0 111.922 -178.169 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.429 ' N ' ' HD2' ' A' ' 102' ' ' PRO . . . -42.56 -62.59 2.15 Favored Glycine 0 CA--C 1.52 0.397 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.457 179.531 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.429 ' HD2' ' N ' ' A' ' 101' ' ' GLY . 26.9 Cg_endo -61.52 -16.57 48.67 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.902 2.402 . . . . 0.0 112.152 179.261 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 89.0 t -80.57 -51.75 15.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.164 179.708 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.538 ' O ' HG23 ' A' ' 108' ' ' VAL . 5.6 t -69.7 -34.5 61.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.134 179.013 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.41 ' HB2' ' O ' ' A' ' 101' ' ' GLY . 1.0 OUTLIER -56.7 -54.27 48.14 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.324 179.082 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -46.92 -37.84 9.8 Favored Glycine 0 C--N 1.331 0.263 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.119 179.749 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.441 HD12 HD11 ' A' ' 174' ' ' LEU . 5.9 mt -74.36 -39.79 49.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.841 0.353 . . . . 0.0 111.09 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.853 HG13 HD11 ' A' ' 119' ' ' ILE . 85.9 t -62.8 -34.1 63.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.626 179.764 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -60.86 -38.76 95.85 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.107 179.493 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 22.2 mtp -79.79 -25.15 41.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.747 0.308 . . . . 0.0 110.23 179.5 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 49.2 t -92.37 42.49 1.1 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.176 0.512 . . . . 0.0 111.388 -178.818 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -167.41 109.15 0.63 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.475 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.03 3.36 54.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.375 178.751 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -103.98 -15.5 15.6 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-O 120.566 0.222 . . . . 0.0 110.925 179.721 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . 65.34 58.49 0.85 Allowed 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 112.076 0.398 . . . . 0.0 112.076 179.247 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 52.8 p-10 -115.65 -13.9 11.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.259 179.393 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 79.6 10.1 86.18 Favored Glycine 0 C--N 1.333 0.379 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.988 179.74 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -123.33 163.11 21.4 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.01 0.434 . . . . 0.0 111.385 -179.395 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.853 HD11 HG13 ' A' ' 108' ' ' VAL . 34.5 mm -109.95 100.4 10.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.33 -179.633 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' ASN . . . . . 0.405 ' O ' ' N ' ' A' ' 123' ' ' GLU . 1.1 m120 -83.43 160.85 21.48 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 179.389 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -51.32 -36.95 45.14 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.8 0.333 . . . . 0.0 110.574 -179.511 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.79 -26.04 64.08 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 178.693 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 120' ' ' ASN . 7.4 mt-10 -83.52 -47.71 11.04 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.317 -0.401 . . . . 0.0 109.926 178.796 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 124' ' ' PHE . . . . . 0.551 ' O ' HD12 ' A' ' 128' ' ' LEU . 2.7 t80 -57.63 -46.9 83.54 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.96 0.41 . . . . 0.0 110.567 179.61 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -57.24 -47.03 82.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.961 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -54.23 -31.92 54.54 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.648 -179.577 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 27.2 t90 -82.94 -42.07 18.08 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 111.999 0.37 . . . . 0.0 111.999 -178.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.743 HD22 ' HA ' ' A' ' 138' ' ' ALA . 0.7 OUTLIER -60.24 -44.16 95.48 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.71 0.29 . . . . 0.0 111.329 -179.255 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 129' ' ' THR . . . . . 0.44 ' HA ' ' O ' ' A' ' 133' ' ' MET . 0.6 OUTLIER -71.09 -22.26 62.12 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.771 -0.372 . . . . 0.0 110.408 179.207 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -67.93 -38.82 83.34 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.989 179.354 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 14.4 mt -86.85 -1.75 58.04 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -178.506 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 110.01 26.72 4.84 Favored Glycine 0 CA--C 1.518 0.255 0 C-N-CA 120.007 -1.092 . . . . 0.0 113.862 178.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' MET . . . . . 0.44 ' O ' ' HA ' ' A' ' 129' ' ' THR . 9.4 mmt -103.23 153.94 19.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 117.309 0.554 . . . . 0.0 110.56 179.394 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 13.6 t -82.01 156.87 24.43 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.797 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.58 -22.38 65.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.721 0.296 . . . . 0.0 111.515 -179.438 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -81.36 -27.2 34.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.946 0.403 . . . . 0.0 110.968 179.686 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -72.34 -39.9 67.81 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.63 -179.284 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 138' ' ' ALA . . . . . 0.743 ' HA ' HD22 ' A' ' 128' ' ' LEU . . . -60.37 -54.94 39.59 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.981 0.42 . . . . 0.0 110.643 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -49.38 -42.91 43.55 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.238 179.572 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -69.8 -49.71 50.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.689 -179.421 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -61.69 -36.23 80.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.607 -178.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 142' ' ' PHE . . . . . 0.558 ' O ' HG12 ' A' ' 145' ' ' VAL . 40.3 t80 -55.6 -58.73 6.59 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.09 179.714 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -58.19 -34.17 70.07 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 116.016 -0.538 . . . . 0.0 112.221 -179.633 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -65.58 -39.09 91.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.147 -0.479 . . . . 0.0 112.061 -178.731 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 0.878 HG13 HD21 ' A' ' 153' ' ' LEU . 8.7 p -83.48 -33.96 10.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.201 -0.454 . . . . 0.0 112.173 -178.094 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.56 77.69 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.322 -179.008 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 147' ' ' THR . . . . . 0.456 ' N ' ' O ' ' A' ' 145' ' ' VAL . 1.4 m -58.85 -32.23 69.23 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.882 -0.599 . . . . 0.0 112.132 179.478 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 148' ' ' ASN . . . . . 0.417 ' ND2' ' OE1' ' A' ' 157' ' ' GLU . 49.4 p30 -94.57 2.69 55.66 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 -178.006 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 40.7 35.77 0.95 Allowed Glycine 0 C--N 1.332 0.349 0 C-N-CA 121.081 -0.581 . . . . 0.0 113.42 179.55 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 27.6 p-10 -91.65 -6.04 52.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.677 0.275 . . . . 0.0 111.405 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 85.83 7.34 81.33 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.734 -0.746 . . . . 0.0 113.35 179.147 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -135.17 135.99 41.49 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 117.287 0.543 . . . . 0.0 111.143 -179.772 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 0.878 HD21 HG13 ' A' ' 145' ' ' VAL . 8.1 mt -101.71 105.54 16.46 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.828 179.264 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.03 169.31 10.52 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.163 0.506 . . . . 0.0 111.761 -179.606 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 155' ' ' LEU . . . . . 0.4 ' O ' ' HB2' ' A' ' 158' ' ' LEU . 6.3 tp -51.07 -45.56 61.44 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.178 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.12 -55.83 28.23 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.255 -179.52 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 157' ' ' GLU . . . . . 0.417 ' OE1' ' ND2' ' A' ' 148' ' ' ASN . 5.8 mt-10 -65.41 -13.67 59.19 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 -178.698 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 158' ' ' LEU . . . . . 0.531 HD11 HG13 ' A' ' 119' ' ' ILE . 0.4 OUTLIER -71.33 -39.01 71.64 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.041 0.448 . . . . 0.0 110.325 179.282 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 1.3 mt -71.9 -40.58 68.74 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.351 179.741 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 29.5 p -53.27 -27.97 25.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.97 179.313 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -66.81 -47.59 71.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.54 -0.754 . . . . 0.0 110.904 179.052 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 162' ' ' VAL . . . . . 0.508 HG13 ' HB3' ' A' ' 173' ' ' GLU . 19.2 t -50.88 -62.91 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.833 -0.622 . . . . 0.0 111.437 -179.597 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.08 149.08 0.99 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.394 -179.751 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 3.2 t70 70.08 49.4 0.48 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.286 179.443 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 165' ' ' PHE . . . . . 0.454 ' CB ' ' HG2' ' A' ' 173' ' ' GLU . 45.1 p90 -107.63 -23.65 12.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.555 179.475 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 166' ' ' HIS . . . . . 0.452 ' NE2' ' HA ' ' A' ' 5' ' ' ALA . 4.3 t-160 -60.89 -69.0 0.25 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.562 -179.822 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 167' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -87.2 113.03 22.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.035 0.445 . . . . 0.0 111.411 -179.237 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . 42.92 72.68 0.29 Allowed Glycine 0 C--N 1.332 0.336 0 CA-C-N 115.833 -0.621 . . . . 0.0 112.959 179.61 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 169' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.87 -178.3 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.813 0.34 . . . . 0.0 110.772 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -114.0 -14.01 12.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.348 -179.814 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 171' ' ' ASP . . . . . 0.784 ' O ' HG13 ' A' ' 172' ' ' VAL . 1.8 t70 -166.36 -72.99 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.522 0.201 . . . . 0.0 110.759 179.717 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 172' ' ' VAL . . . . . 0.784 HG13 ' O ' ' A' ' 171' ' ' ASP . 0.0 OUTLIER 173.82 33.97 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.691 179.698 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 173' ' ' GLU . . . . . 0.508 ' HB3' HG13 ' A' ' 162' ' ' VAL . 0.3 OUTLIER 48.54 -175.2 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.718 0.295 . . . . 0.0 110.828 179.748 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 174' ' ' LEU . . . . . 0.557 HD13 ' C ' ' A' ' 174' ' ' LEU . 3.2 tm? -84.9 -35.4 22.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.62 179.723 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 175' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.42 -31.7 69.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.655 179.799 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.081 0 CA-C-O 118.389 -1.228 . . . . 0.0 112.478 -179.977 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 500' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 501' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 502' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 41.2 p . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.828 0.347 . . . . 0.0 111.173 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.434 ' O ' ' HB2' ' A' ' 3' ' ' ALA . 14.8 t -59.66 143.31 50.94 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.406 -179.588 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.434 ' HB2' ' O ' ' A' ' 2' ' ' THR . . . 176.76 -79.03 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.098 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 29.0 mt -77.6 -30.54 16.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.533 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.05 -42.82 99.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.867 -179.182 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -61.15 -55.51 31.52 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.718 -179.429 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -46.92 -51.61 16.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.002 -0.544 . . . . 0.0 112.402 -178.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.35 -45.02 93.13 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 111.813 0.301 . . . . 0.0 111.813 -178.699 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.87 HD12 HG23 ' A' ' 81' ' ' ILE . 11.8 mt -75.39 -27.92 59.26 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.655 0.264 . . . . 0.0 111.547 -179.183 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -61.05 -55.99 26.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.665 0.269 . . . . 0.0 110.993 -179.574 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.417 ' O ' ' HB2' ' A' ' 15' ' ' ARG . 0.1 OUTLIER -56.32 -46.7 79.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.537 -0.302 . . . . 0.0 111.093 -179.803 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -45.64 -28.47 0.99 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.918 0.39 . . . . 0.0 110.992 179.635 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 43.2 t80 -74.58 -59.1 2.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.079 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -70.06 -25.83 63.73 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.888 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.417 ' HB2' ' O ' ' A' ' 11' ' ' LYS . 0.1 OUTLIER -73.13 -16.94 61.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.539 -0.301 . . . . 0.0 111.026 179.932 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.401 ' CH2' ' CE2' ' A' ' 29' ' ' PHE . 2.9 t90 -108.3 14.14 25.12 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 111.773 0.286 . . . . 0.0 111.773 -179.76 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.87 77.64 5.33 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.976 0.417 . . . . 0.0 110.003 179.257 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -54.78 -50.59 68.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.673 -178.827 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 15.1 p-10 -97.35 -14.18 21.42 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 111.643 0.238 . . . . 0.0 111.643 -179.567 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 77.18 45.61 11.29 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.5 -0.857 . . . . 0.0 112.042 -179.587 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 38.7 p-10 -92.04 -10.22 39.95 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 111.777 0.288 . . . . 0.0 111.777 -179.456 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 79.34 20.49 69.33 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.53 -0.843 . . . . 0.0 112.187 -179.633 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -154.08 179.3 9.06 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.1 tp -115.46 117.56 30.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.897 0.38 . . . . 0.0 111.056 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -114.69 168.07 10.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.424 179.79 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 56.7 ttt180 -69.09 -29.68 67.82 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.391 -179.487 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.37 -18.28 64.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.282 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.48 -27.37 62.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.996 0.426 . . . . 0.0 110.114 179.22 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.401 ' CE2' ' CH2' ' A' ' 16' ' ' TRP . 37.1 m-85 -78.0 -40.83 37.84 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.179 -179.506 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -65.65 -36.94 85.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.366 179.442 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.57 -45.32 79.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.953 0.406 . . . . 0.0 110.42 179.419 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.449 ' OE1' ' CE2' ' A' ' 56' ' ' PHE . 2.1 tm-20 -51.07 -57.03 9.74 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.292 179.773 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.514 ' HB3' ' HG2' ' A' ' 53' ' ' LYS . . . -51.0 -45.8 61.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.053 0.454 . . . . 0.0 110.343 179.37 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.42 ' CG ' ' HE3' ' A' ' 53' ' ' LYS . 2.3 mm100 -61.85 -52.86 62.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.734 -0.667 . . . . 0.0 109.915 179.136 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 8.8 t60 -55.69 -29.9 60.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.495 179.74 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.459 ' O ' ' HB3' ' A' ' 39' ' ' ALA . 17.0 mm -78.12 -54.6 12.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.825 179.795 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -43.97 -48.26 8.62 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.708 0.29 . . . . 0.0 111.341 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.78 -36.25 71.91 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 179.204 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.459 ' HB3' ' O ' ' A' ' 36' ' ' ILE . . . -58.77 -33.76 70.65 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 178.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -90.13 2.59 55.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.702 179.089 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.415 ' O ' ' HB2' ' A' ' 42' ' ' LYS . . . 71.61 -148.77 44.06 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 121.041 -0.599 . . . . 0.0 112.738 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.415 ' HB2' ' O ' ' A' ' 41' ' ' GLY . 12.9 mttt 69.29 -99.02 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 122.717 0.407 . . . . 0.0 111.544 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -170.68 133.58 1.0 Allowed 'General case' 0 C--O 1.232 0.14 0 C-N-CA 120.726 -0.39 . . . . 0.0 111.702 -179.439 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.568 ' O ' HG11 ' A' ' 49' ' ' VAL . . . -68.49 -9.34 48.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.598 179.712 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -102.44 14.41 56.62 Favored Glycine 0 C--N 1.332 0.352 0 C-N-CA 120.526 -0.845 . . . . 0.0 113.578 -179.002 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.87 -171.42 0.14 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.906 0.384 . . . . 0.0 110.863 179.575 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -88.9 -45.0 10.05 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.007 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -63.92 -20.06 65.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.955 -0.566 . . . . 0.0 112.167 -178.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.568 HG11 ' O ' ' A' ' 44' ' ' ALA . 8.4 p -76.48 -43.19 35.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 C-N-CA 120.575 -0.45 . . . . 0.0 109.802 179.506 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.435 ' N ' HG13 ' A' ' 49' ' ' VAL . 60.0 tp60 -60.04 -42.72 95.05 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 178.505 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 94.1 m -57.75 -56.3 23.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.596 178.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 31.2 tp -50.33 -60.56 2.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.205 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.514 ' HG2' ' HB3' ' A' ' 33' ' ' ALA . 12.9 mtpt -50.93 -39.3 54.35 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.754 -0.203 . . . . 0.0 110.69 179.517 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -59.55 -42.18 91.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.725 0.298 . . . . 0.0 110.464 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.05 -37.8 78.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.978 0.418 . . . . 0.0 110.577 179.095 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.451 ' HD2' ' HB2' ' A' ' 33' ' ' ALA . 0.5 OUTLIER -64.28 -32.15 73.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.741 179.753 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -66.53 -51.6 41.05 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.444 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -54.75 -31.94 54.25 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.583 -0.818 . . . . 0.0 112.713 -179.676 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.56 HD11 ' CD2' ' A' ' 100' ' ' LEU . 0.5 OUTLIER -58.33 -38.12 76.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.663 0.268 . . . . 0.0 110.733 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.401 ' O ' ' N ' ' A' ' 63' ' ' LEU . 46.2 t80 -59.72 -47.65 84.81 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 179.526 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -42.17 -48.9 4.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.415 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.412 ' O ' ' HB2' ' A' ' 66' ' ' GLU . 87.1 t80 -58.68 -36.08 73.62 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.929 0.395 . . . . 0.0 110.474 179.525 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.458 ' HB3' HD21 ' A' ' 75' ' ' LEU . 24.2 mt -64.6 -55.98 16.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.837 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.851 ' HB1' ' O ' ' A' ' 69' ' ' VAL . . . -54.82 -45.95 74.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.86 0.362 . . . . 0.0 111.307 179.693 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 27.0 ttpt -64.77 -53.94 39.14 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.973 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.412 ' HB2' ' O ' ' A' ' 62' ' ' TYR . 6.2 tm-20 -61.92 -41.22 97.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.025 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.414 ' HB2' HD23 ' A' ' 75' ' ' LEU . . . -77.87 -27.1 49.63 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.825 0.345 . . . . 0.0 111.583 -179.617 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 103.22 0.43 47.6 Favored Glycine 0 CA--C 1.521 0.454 0 C-N-CA 120.501 -0.857 . . . . 0.0 114.049 179.08 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.851 ' O ' ' HB1' ' A' ' 64' ' ' ALA . 29.5 m -101.27 173.04 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.962 0.381 . . . . 0.0 110.421 179.63 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -86.68 177.19 48.27 Favored Glycine 0 C--N 1.331 0.297 0 C-N-CA 120.88 -0.676 . . . . 0.0 114.487 -178.072 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 69.3 m -64.52 -15.6 61.17 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.21 -0.495 . . . . 0.0 110.983 178.247 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -110.66 13.25 22.52 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.005 179.638 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -96.21 -163.5 33.34 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.694 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -143.6 156.37 44.56 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.991 0.425 . . . . 0.0 111.341 -179.681 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.458 HD21 ' HB3' ' A' ' 63' ' ' LEU . 2.7 mp -118.78 140.01 50.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.062 179.317 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 54.5 p -85.53 176.03 8.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.854 0.359 . . . . 0.0 111.374 -179.512 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -65.72 -48.88 70.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.963 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -58.99 -34.62 72.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.659 179.695 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -74.34 -43.74 55.35 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.08 0.467 . . . . 0.0 110.404 179.373 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.473 ' CE1' ' OG1' ' A' ' 84' ' ' THR . 34.0 t80 -51.58 -57.54 8.83 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.735 179.444 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.87 HG23 HD12 ' A' ' 9' ' ' LEU . 9.1 mt -53.43 -44.22 54.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.566 -179.458 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 2.6 tpp180 -59.46 -56.71 18.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.789 -179.689 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 13.1 p -71.04 -35.89 61.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 N-CA-C 111.873 0.324 . . . . 0.0 111.873 -179.234 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.473 ' OG1' ' CE1' ' A' ' 80' ' ' PHE . 95.1 m -63.37 -45.57 90.54 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.846 0.355 . . . . 0.0 110.714 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.83 -43.55 90.68 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.998 -0.547 . . . . 0.0 112.195 -179.174 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.436 ' O ' ' N ' ' A' ' 90' ' ' GLU . 1.7 m-80 -56.87 -39.5 74.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.768 -179.383 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.597 HD11 ' CE2' ' A' ' 96' ' ' PHE . 0.6 OUTLIER -60.24 -41.29 92.86 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.731 0.301 . . . . 0.0 111.409 -179.61 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.401 ' N ' ' HG ' ' A' ' 87' ' ' LEU . 4.9 mt -71.96 -46.96 57.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.915 0.388 . . . . 0.0 111.18 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -88.44 -72.6 0.53 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.48 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 86' ' ' ASN . 1.4 tp10 -63.88 -159.77 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.332 179.237 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 7.6 mm100 63.44 -88.73 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.059 179.756 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 142.98 170.74 13.06 Favored Glycine 0 C--N 1.334 0.457 0 C-N-CA 120.396 -0.907 . . . . 0.0 113.184 179.692 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.57 -56.1 25.57 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 121.113 0.482 . . . . 0.0 111.254 -179.826 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.4 ' O ' ' HB2' ' A' ' 98' ' ' ARG . . . -57.92 -15.34 8.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.533 -0.758 . . . . 0.0 112.442 -178.873 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -77.22 -44.65 29.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.86 0.362 . . . . 0.0 110.62 179.636 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.597 ' CE2' HD11 ' A' ' 87' ' ' LEU . 1.9 t80 -68.67 -43.67 75.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.896 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -67.83 -37.0 81.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.158 -179.669 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.4 ' HB2' ' O ' ' A' ' 94' ' ' ALA . 71.5 ttt180 -63.98 -64.33 0.92 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.814 -179.338 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 5.5 p -69.42 -39.41 78.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 N-CA-C 112.756 0.65 . . . . 0.0 112.756 -178.004 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.909 HD13 ' HB ' ' A' ' 103' ' ' VAL . 0.2 OUTLIER -87.69 -25.9 23.25 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 120.093 -0.643 . . . . 0.0 111.915 -177.623 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.448 ' N ' ' HD2' ' A' ' 102' ' ' PRO . . . -42.59 -60.63 2.78 Favored Glycine 0 CA--C 1.521 0.456 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.715 179.603 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.448 ' HD2' ' N ' ' A' ' 101' ' ' GLY . 30.0 Cg_endo -62.26 -15.5 44.98 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.693 2.262 . . . . 0.0 112.167 179.476 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.909 ' HB ' HD13 ' A' ' 100' ' ' LEU . 89.5 t -82.62 -50.88 15.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.786 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.769 HG23 HD12 ' A' ' 100' ' ' LEU . 94.2 t -70.12 -34.61 59.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.959 0.409 . . . . 0.0 110.456 179.214 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 5.5 tttt -54.87 -60.3 3.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.296 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -42.05 -34.39 1.43 Allowed Glycine 0 C--N 1.333 0.401 0 C-N-CA 121.017 -0.611 . . . . 0.0 112.821 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.589 HG21 ' CZ2' ' A' ' 127' ' ' TRP . 26.3 mt -73.61 -40.88 55.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.653 0.263 . . . . 0.0 111.311 -179.751 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.771 HG22 HD11 ' A' ' 119' ' ' ILE . 73.7 t -61.59 -33.95 59.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.703 179.799 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -68.26 -31.98 75.35 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.69 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -80.43 -27.92 37.87 Favored 'General case' 0 C--N 1.332 -0.184 0 O-C-N 122.833 -0.216 . . . . 0.0 111.08 -179.753 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 62.0 m -90.99 -28.63 17.88 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 113.334 0.864 . . . . 0.0 113.334 -177.219 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' ASP . . . . . 0.438 ' O ' ' HB2' ' A' ' 113' ' ' LYS . 57.5 m-20 -64.26 -73.65 0.12 Allowed 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.011 -0.676 . . . . 0.0 110.201 -179.336 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.438 ' HB2' ' O ' ' A' ' 112' ' ' ASP . 0.0 OUTLIER 83.66 -7.08 1.12 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.435 -178.527 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 114' ' ' ASN . . . . . 0.553 ' O ' ' HB3' ' A' ' 115' ' ' ALA . 11.0 p30 -107.19 -18.92 13.76 Favored 'General case' 0 CA--C 1.529 0.165 0 N-CA-C 110.132 -0.321 . . . . 0.0 110.132 178.803 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.553 ' HB3' ' O ' ' A' ' 114' ' ' ASN . . . 77.1 54.14 0.04 OUTLIER 'General case' 0 N--CA 1.462 0.133 0 N-CA-C 112.457 0.54 . . . . 0.0 112.457 178.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 47.6 p-10 -115.62 -16.96 11.25 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 121.003 -0.279 . . . . 0.0 111.239 179.562 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 77.29 13.46 83.57 Favored Glycine 0 CA--C 1.519 0.343 0 C-N-CA 120.864 -0.684 . . . . 0.0 113.021 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -125.2 165.76 17.69 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.03 0.443 . . . . 0.0 111.747 -179.182 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.771 HD11 HG22 ' A' ' 108' ' ' VAL . 18.2 mm -112.85 99.95 9.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.778 -179.237 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' ASN . . . . . 0.406 ' O ' ' N ' ' A' ' 123' ' ' GLU . 2.3 m-80 -83.68 158.37 21.85 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 179.332 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -47.61 -38.13 13.96 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.979 -0.288 . . . . 0.0 111.22 -178.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.33 -28.96 66.69 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 179.205 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 120' ' ' ASN . 12.0 mt-10 -80.99 -44.93 17.39 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 178.678 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 124' ' ' PHE . . . . . 0.608 ' CE2' HD11 ' A' ' 128' ' ' LEU . 5.6 t80 -55.58 -51.31 67.54 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.978 179.702 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -57.1 -42.26 80.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.079 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -55.61 -33.87 64.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.138 -0.483 . . . . 0.0 112.041 -179.544 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' TRP . . . . . 0.589 ' CZ2' HG21 ' A' ' 107' ' ' ILE . 10.5 t90 -85.84 -41.39 15.05 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 111.922 0.342 . . . . 0.0 111.922 -178.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.608 HD11 ' CE2' ' A' ' 124' ' ' PHE . 0.2 OUTLIER -59.5 -44.54 93.08 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.864 0.364 . . . . 0.0 110.825 -179.585 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 1.7 p -70.05 -25.48 63.57 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.031 -0.532 . . . . 0.0 109.885 178.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' ALA . . . . . 0.421 ' HB3' ' O ' ' A' ' 127' ' ' TRP . . . -64.92 -37.44 87.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.37 179.132 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 95.7 mt -86.28 -7.26 58.64 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 -178.699 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 112.78 27.12 3.9 Favored Glycine 0 CA--C 1.518 0.28 0 C-N-CA 119.954 -1.117 . . . . 0.0 113.88 178.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' MET . . . . . . . . . . . . . 2.2 mmt -102.4 153.13 20.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 117.27 0.535 . . . . 0.0 110.079 179.041 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -80.78 166.03 21.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.888 0.375 . . . . 0.0 111.134 -179.552 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.07 -19.36 64.08 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.042 -0.527 . . . . 0.0 112.082 -179.022 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -84.95 -25.54 27.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.785 0.326 . . . . 0.0 111.46 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -73.42 -42.4 62.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.683 -179.352 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -58.31 -58.81 6.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.956 0.408 . . . . 0.0 110.589 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -47.33 -43.33 22.71 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.058 179.415 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.54 -48.45 55.42 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.65 -179.553 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -61.75 -36.4 80.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.038 0.447 . . . . 0.0 111.15 -179.307 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 142' ' ' PHE . . . . . 0.537 ' O ' HG12 ' A' ' 145' ' ' VAL . 55.4 t80 -52.41 -59.83 3.96 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.205 179.188 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -58.67 -35.03 71.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.465 -0.789 . . . . 0.0 112.452 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 144' ' ' GLN . . . . . 0.409 HE21 HD12 ' A' ' 170' ' ' LEU . 30.3 mt-30 -67.16 -38.25 85.15 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 -178.754 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 1.054 HG13 HD21 ' A' ' 153' ' ' LEU . 11.9 p -83.1 -34.54 11.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.71 -178.262 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.84 78.12 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.176 -179.452 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 147' ' ' THR . . . . . 0.443 ' N ' ' O ' ' A' ' 145' ' ' VAL . 5.9 m -58.19 -28.95 65.27 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.817 179.192 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 39.8 p30 -98.41 1.67 47.09 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.548 0.573 . . . . 0.0 112.548 -178.208 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 38.32 39.01 0.68 Allowed Glycine 0 C--N 1.337 0.621 0 C-N-CA 121.237 -0.506 . . . . 0.0 113.558 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 40.4 p-10 -94.15 -5.66 46.62 Favored 'General case' 0 CA--C 1.531 0.226 0 N-CA-C 111.62 0.23 . . . . 0.0 111.62 -179.694 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 90.06 1.96 75.27 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.489 -0.862 . . . . 0.0 113.517 179.224 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 65.1 mt-10 -133.04 134.26 44.14 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 117.499 0.649 . . . . 0.0 110.804 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 1.054 HD21 HG13 ' A' ' 145' ' ' VAL . 12.3 mt -99.88 104.49 16.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.931 179.572 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -89.3 158.83 17.67 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.919 0.39 . . . . 0.0 111.142 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 155' ' ' LEU . . . . . 0.782 ' HA ' HD12 ' A' ' 158' ' ' LEU . 0.9 OUTLIER -40.95 -41.24 1.58 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.919 -179.615 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 60.6 t0 -57.01 -56.91 15.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.218 0.532 . . . . 0.0 111.387 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -64.28 -14.91 58.77 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.33 -0.85 . . . . 0.0 112.908 -178.391 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 158' ' ' LEU . . . . . 0.782 HD12 ' HA ' ' A' ' 155' ' ' LEU . 21.4 mt -70.64 -38.73 73.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.674 0.273 . . . . 0.0 110.82 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.498 ' N ' HD23 ' A' ' 159' ' ' LEU . 0.4 OUTLIER -73.08 -39.51 65.78 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.958 0.409 . . . . 0.0 110.349 179.474 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -52.96 -38.46 62.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.041 179.619 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 161' ' ' ALA . . . . . 0.85 ' HB2' ' CG2' ' A' ' 145' ' ' VAL . . . -64.21 -57.65 8.87 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.839 179.301 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 162' ' ' VAL . . . . . 0.535 HG22 ' CB ' ' A' ' 174' ' ' LEU . 4.1 t -52.75 -69.2 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.335 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 19.0 mmt85 42.83 30.18 0.23 Allowed 'General case' 0 N--CA 1.462 0.162 0 CA-C-O 120.881 0.372 . . . . 0.0 111.197 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 1.5 t0 68.16 51.68 0.7 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.648 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 64.74 14.93 9.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.001 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 48.87 -175.62 0.01 OUTLIER 'General case' 0 C--N 1.334 -0.077 0 CA-C-O 120.724 0.297 . . . . 0.0 110.606 -179.627 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 167' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -78.68 100.92 7.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.868 0.366 . . . . 0.0 110.452 179.754 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . 79.71 1.57 87.05 Favored Glycine 0 CA--C 1.521 0.433 0 C-N-CA 120.752 -0.737 . . . . 0.0 113.011 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 169' ' ' ARG . . . . . . . . . . . . . 33.0 ttt-85 64.06 111.64 0.03 OUTLIER 'General case' 0 C--O 1.232 0.143 0 CA-C-N 116.946 0.373 . . . . 0.0 111.044 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 170' ' ' LEU . . . . . 0.426 ' CG ' ' O ' ' A' ' 170' ' ' LEU . 0.4 OUTLIER -105.56 48.93 0.82 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.094 -179.932 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 68.92 30.65 4.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.91 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -103.8 -94.62 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.399 -179.766 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 59.22 155.01 0.02 OUTLIER 'General case' 0 CA--C 1.528 0.102 0 CA-C-O 120.811 0.339 . . . . 0.0 110.969 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 174' ' ' LEU . . . . . 0.626 HD23 ' N ' ' A' ' 175' ' ' LEU . 6.4 tt -145.03 -73.61 0.24 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.841 179.79 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 175' ' ' LEU . . . . . 0.626 ' N ' HD23 ' A' ' 174' ' ' LEU . 3.7 tp -75.67 115.24 15.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.849 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.408 -1.218 . . . . 0.0 112.465 -179.964 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 500' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 501' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 502' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 63.4 m . . . . . 0 N--CA 1.488 1.45 0 CA-C-O 120.868 0.366 . . . . 0.0 111.472 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 75.4 m -76.54 146.96 38.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.581 179.723 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -52.26 112.4 0.8 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.621 -179.742 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 3.0 mp -76.53 -34.34 24.14 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.781 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.58 -33.6 76.04 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -179.013 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.9 t -60.34 -55.0 38.95 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.755 0.312 . . . . 0.0 111.352 -179.433 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -51.46 -44.5 62.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.285 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.29 -48.96 77.59 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.536 -179.449 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.642 ' CD2' HG21 ' A' ' 84' ' ' THR . 51.5 mt -76.55 -32.8 58.42 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.644 0.259 . . . . 0.0 111.442 -179.191 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.62 -53.33 59.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.78 0.324 . . . . 0.0 110.532 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.7 mttp -60.69 -44.09 96.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.381 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.423 ' NH2' HD12 ' A' ' 175' ' ' LEU . 0.2 OUTLIER -48.24 -29.79 4.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.171 179.654 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -73.96 -61.4 1.86 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.662 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -67.49 -11.75 58.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.182 179.561 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.59 -23.74 59.97 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.744 0.307 . . . . 0.0 110.879 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 2.4 m0 -91.94 -96.25 0.13 Allowed 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.308 -179.637 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 39.55 68.39 0.38 Allowed 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 120.924 0.392 . . . . 0.0 111.514 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.511 ' CE1' ' HB3' ' A' ' 31' ' ' LYS . 0.4 OUTLIER -53.11 -50.99 63.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.645 -179.617 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.5 p30 -96.84 -13.54 22.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.585 -179.628 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.45 45.7 13.6 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.541 -0.838 . . . . 0.0 112.879 179.751 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 16.8 p-10 -93.03 -7.83 44.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 117.234 0.517 . . . . 0.0 111.326 179.64 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 85.28 21.48 54.57 Favored Glycine 0 C--N 1.334 0.434 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.43 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.481 ' HB1' ' HB2' ' A' ' 74' ' ' SER . . . -156.46 173.84 16.31 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.592 0.234 . . . . 0.0 110.406 179.444 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.9 mp -108.31 123.27 48.54 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.671 -0.241 . . . . 0.0 110.949 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -121.01 172.07 8.2 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.353 0.597 . . . . 0.0 111.493 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -68.46 -34.59 76.21 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.793 179.632 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.0 -20.1 66.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.038 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.415 ' O ' ' CE2' ' A' ' 18' ' ' PHE . 0.5 OUTLIER -72.4 -33.21 67.01 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.443 179.802 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -75.24 -39.07 60.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.457 -179.457 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.81 -39.9 95.34 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.636 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.511 ' HB3' ' CE1' ' A' ' 18' ' ' PHE . 0.3 OUTLIER -64.93 -42.71 94.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.673 0.273 . . . . 0.0 110.418 179.629 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -48.7 -61.48 2.01 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.296 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.569 ' HB3' ' HG3' ' A' ' 53' ' ' LYS . . . -43.98 -46.53 8.31 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.088 179.553 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -62.55 -51.1 68.7 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.905 179.167 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -52.73 -31.31 37.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.281 179.775 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 65.3 mt -77.72 -55.6 9.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.654 179.252 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -45.11 -44.23 10.32 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 121.084 0.469 . . . . 0.0 110.999 179.701 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -59.82 -42.39 93.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.252 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -58.37 -24.76 60.82 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.894 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 47.5 m-85 -92.16 3.38 55.44 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.466 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 67.86 14.1 64.95 Favored Glycine 0 C--N 1.335 0.479 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.712 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 17.5 mttp -90.96 158.69 16.58 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.389 0.138 . . . . 0.0 110.793 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.529 ' O ' HG21 ' A' ' 49' ' ' VAL . 0.2 OUTLIER -71.46 130.27 40.87 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.699 0.285 . . . . 0.0 110.708 179.69 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.58 -17.0 64.04 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.697 -179.458 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -105.02 13.63 49.1 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.296 -0.954 . . . . 0.0 113.049 -179.274 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.19 -159.79 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.926 0.393 . . . . 0.0 110.795 179.282 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -91.74 -50.23 5.85 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.24 0.543 . . . . 0.0 110.913 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.412 ' HG3' ' HG2' ' A' ' 110' ' ' MET . 0.0 OUTLIER -58.76 -30.31 67.44 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.33 -0.85 . . . . 0.0 112.525 -178.946 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.529 HG21 ' O ' ' A' ' 43' ' ' ASP . 5.2 t -76.02 -43.44 38.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.219 179.776 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -61.66 -40.92 96.64 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 178.67 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 85.1 m -57.29 -57.87 10.75 Favored 'General case' 0 CA--C 1.522 -0.108 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.213 179.134 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 22.2 tp -51.19 -55.74 16.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.509 -179.507 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.569 ' HG3' ' HB3' ' A' ' 33' ' ' ALA . 8.1 mtpt -51.39 -37.77 49.95 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.741 0.305 . . . . 0.0 110.873 179.528 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 17.3 t30 -60.84 -42.81 98.5 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.873 0.368 . . . . 0.0 110.64 179.707 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.65 -37.89 73.78 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.157 179.633 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -62.36 -31.05 71.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.55 179.708 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -64.07 -52.16 46.96 Favored Glycine 0 N--CA 1.449 -0.455 0 CA-C-N 115.714 -0.675 . . . . 0.0 112.905 -179.624 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -61.37 -27.1 67.18 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.548 -0.834 . . . . 0.0 112.662 -179.686 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.484 HD12 HG21 ' A' ' 103' ' ' VAL . 4.3 tt -55.64 -38.1 69.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.807 0.336 . . . . 0.0 110.914 -179.426 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -62.2 -39.86 94.16 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.849 179.67 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -41.81 -52.94 3.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.516 -179.669 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -58.38 -35.27 71.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.138 -179.659 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 83.3 mt -66.68 -57.97 6.07 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.867 0.365 . . . . 0.0 111.19 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.532 ' HB1' ' O ' ' A' ' 69' ' ' VAL . . . -51.81 -50.72 60.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 0.0 112.137 179.629 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.97 -49.42 74.78 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.848 0.356 . . . . 0.0 111.47 -179.103 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -60.24 -42.59 95.6 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.83 -179.654 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -76.19 -27.94 57.09 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 116.123 -0.49 . . . . 0.0 112.146 -179.379 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 105.56 0.36 40.07 Favored Glycine 0 CA--C 1.522 0.52 0 C-N-CA 120.615 -0.802 . . . . 0.0 113.785 178.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.532 ' O ' ' HB1' ' A' ' 64' ' ' ALA . 35.3 m -102.07 175.56 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 179.482 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -89.17 -179.2 45.6 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.413 -0.899 . . . . 0.0 113.944 -178.546 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 12.3 m -65.38 -13.43 58.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.329 -0.436 . . . . 0.0 111.142 178.158 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -111.22 12.44 21.77 Favored 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 122.187 0.195 . . . . 0.0 111.407 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -94.56 -163.75 35.55 Favored Glycine 0 N--CA 1.446 -0.663 0 C-N-CA 120.274 -0.965 . . . . 0.0 112.194 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.481 ' HB2' ' HB1' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -144.17 156.73 44.44 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.279 0.562 . . . . 0.0 112.007 -179.273 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -116.75 132.15 56.77 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.314 179.58 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 29.5 p -83.9 -179.16 7.2 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.628 0.251 . . . . 0.0 110.872 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 60.8 tt0 -71.44 -52.28 19.35 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.701 0.286 . . . . 0.0 111.197 -179.555 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -55.62 -35.07 65.47 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 179.731 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -75.15 -42.63 55.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.141 178.694 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 36.7 t80 -53.92 -53.92 45.95 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.792 179.417 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 23.5 mt -53.82 -46.64 63.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.536 -179.302 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.7 -53.25 60.17 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 111.873 0.323 . . . . 0.0 111.873 -179.519 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 14.6 p -72.41 -34.6 49.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.761 0.315 . . . . 0.0 111.33 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.642 HG21 ' CD2' ' A' ' 9' ' ' LEU . 31.1 m -64.13 -48.4 76.22 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.364 179.834 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -52.8 -45.35 67.17 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.075 0.464 . . . . 0.0 111.077 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -58.44 -37.86 76.29 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.913 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.7 mt -58.92 -48.35 81.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.296 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.488 HD12 ' O ' ' A' ' 84' ' ' THR . 2.9 mp -73.32 -45.09 53.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 120.601 0.239 . . . . 0.0 111.07 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -87.87 -75.47 0.41 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.819 0.342 . . . . 0.0 110.989 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.412 ' O ' ' HB2' ' A' ' 91' ' ' GLN . 4.9 mt-10 -64.13 -161.5 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.648 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.428 ' OE1' ' N ' ' A' ' 91' ' ' GLN . 0.0 OUTLIER 66.91 135.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.809 179.836 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -69.69 157.76 53.45 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.561 -179.693 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.04 -57.78 9.22 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.709 0.29 . . . . 0.0 111.719 -179.256 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.437 ' O ' ' CG ' ' A' ' 98' ' ' ARG . . . -60.43 -13.38 13.19 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.336 0.495 . . . . 0.0 112.336 -179.523 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 37.4 m -73.62 -42.61 61.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.873 0.368 . . . . 0.0 110.82 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.685 ' CE1' HD22 ' A' ' 100' ' ' LEU . 10.4 t80 -67.93 -44.87 75.86 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.309 179.681 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -65.09 -39.91 93.84 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.67 -0.696 . . . . 0.0 112.141 -179.35 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.437 ' CG ' ' O ' ' A' ' 94' ' ' ALA . 1.5 mmt-85 -62.57 -63.4 1.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -178.241 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 21.6 t -66.92 -38.31 81.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 113.02 0.748 . . . . 0.0 113.02 -177.472 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.685 HD22 ' CE1' ' A' ' 96' ' ' PHE . 0.5 OUTLIER -88.75 -25.72 22.14 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 119.896 -0.721 . . . . 0.0 112.722 -177.536 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.469 ' N ' ' HD2' ' A' ' 102' ' ' PRO . . . -41.1 -56.71 3.19 Favored Glycine 0 CA--C 1.524 0.647 0 C-N-CA 120.896 -0.668 . . . . 0.0 112.949 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.469 ' HD2' ' N ' ' A' ' 101' ' ' GLY . 57.2 Cg_endo -69.03 -13.74 37.09 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.908 2.406 . . . . 0.0 112.741 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.484 HG21 HD12 ' A' ' 59' ' ' LEU . 46.6 t -79.75 -49.95 18.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 C-N-CA 120.436 -0.506 . . . . 0.0 110.454 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.422 ' O ' HG23 ' A' ' 108' ' ' VAL . 59.3 t -70.53 -34.46 57.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 121.457 0.646 . . . . 0.0 109.67 178.353 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.04 -59.35 4.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.016 -0.993 . . . . 0.0 110.501 179.185 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -44.92 -35.49 4.51 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.906 -0.664 . . . . 0.0 112.35 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 69.0 mt -73.69 -41.67 54.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.606 0.241 . . . . 0.0 111.458 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.906 HG13 HD11 ' A' ' 119' ' ' ILE . 46.4 t -62.17 -34.2 62.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.911 0.386 . . . . 0.0 110.945 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -62.64 -36.33 93.11 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.466 -0.873 . . . . 0.0 112.064 179.612 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' MET . . . . . 0.412 ' HG2' ' HG3' ' A' ' 48' ' ' GLU . 1.6 mtm -80.8 -27.6 36.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.871 0.367 . . . . 0.0 110.12 179.507 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 6.5 t -93.98 46.2 1.17 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.062 -178.814 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -167.38 107.92 0.6 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.254 -0.884 . . . . 0.0 110.371 -179.749 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 1.5 mtpt -94.06 7.77 43.94 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.685 178.08 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' ASN . . . . . 0.413 ' O ' ' HB3' ' A' ' 115' ' ' ALA . 6.8 p30 -108.66 -24.19 11.46 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.72 0.295 . . . . 0.0 110.785 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.413 ' HB3' ' O ' ' A' ' 114' ' ' ASN . . . 67.97 59.68 0.44 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.302 -0.408 . . . . 0.0 112.037 179.24 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 27.2 p-10 -114.18 -12.71 12.46 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.777 179.13 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 82.91 4.56 89.97 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.618 -0.801 . . . . 0.0 113.232 179.506 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -121.42 166.0 14.74 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-O 121.273 0.559 . . . . 0.0 111.987 -179.35 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.906 HD11 HG13 ' A' ' 108' ' ' VAL . 38.8 mm -111.77 98.99 7.76 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.972 -179.413 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 120' ' ' ASN . . . . . 0.424 ' O ' ' N ' ' A' ' 123' ' ' GLU . 0.9 OUTLIER -86.01 153.78 21.9 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.738 -0.385 . . . . 0.0 110.053 179.668 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -42.99 -38.9 2.41 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 111.804 0.298 . . . . 0.0 111.804 -178.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 53.2 t0 -69.13 -37.59 78.39 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 179.379 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 120' ' ' ASN . 3.8 mt-10 -73.45 -45.36 54.73 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 178.606 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 124' ' ' PHE . . . . . 0.441 ' CD1' HG21 ' A' ' 119' ' ' ILE . 1.6 t80 -54.98 -52.78 62.0 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.354 -179.487 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.417 ' HA ' ' HB1' ' A' ' 138' ' ' ALA . . . -54.5 -40.37 68.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.448 -179.48 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -55.57 -33.35 63.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 112.094 -179.332 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' TRP . . . . . 0.471 ' O ' ' HB3' ' A' ' 130' ' ' ALA . 13.3 t90 -86.43 -42.07 13.92 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 111.804 0.298 . . . . 0.0 111.804 -178.858 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.438 HD12 ' O ' ' A' ' 124' ' ' PHE . 0.4 OUTLIER -57.55 -44.11 84.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.907 0.384 . . . . 0.0 110.691 -179.917 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 129' ' ' THR . . . . . 0.475 HG22 ' O ' ' A' ' 133' ' ' MET . 1.0 OUTLIER -71.19 -21.62 62.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.38 178.753 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 130' ' ' ALA . . . . . 0.471 ' HB3' ' O ' ' A' ' 127' ' ' TRP . . . -65.14 -36.54 84.59 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.715 179.39 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 5.7 mt -86.1 3.12 44.0 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 -178.739 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 102.54 29.68 5.85 Favored Glycine 0 C--N 1.332 0.338 0 C-N-CA 120.216 -0.992 . . . . 0.0 113.743 178.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' MET . . . . . 0.475 ' O ' HG22 ' A' ' 129' ' ' THR . 15.1 mmt -103.07 155.98 18.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.956 0.378 . . . . 0.0 110.29 179.419 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 16.6 t -81.79 168.42 18.03 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.956 0.407 . . . . 0.0 111.475 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.95 -14.74 62.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.014 -0.539 . . . . 0.0 112.165 -179.55 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -89.11 -31.23 18.1 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 111.99 0.366 . . . . 0.0 111.99 -179.361 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.03 -38.66 79.3 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 -178.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 138' ' ' ALA . . . . . 0.417 ' HB1' ' HA ' ' A' ' 125' ' ' ALA . . . -60.23 -59.04 6.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.799 0.333 . . . . 0.0 111.025 -179.84 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -46.92 -41.73 16.47 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.946 0.403 . . . . 0.0 111.414 179.444 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -69.23 -48.21 62.57 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.004 -179.701 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 141' ' ' ALA . . . . . 0.537 ' O ' HG23 ' A' ' 145' ' ' VAL . . . -64.65 -37.19 86.72 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.975 -0.557 . . . . 0.0 112.04 -179.338 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -55.86 -59.91 4.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.058 0.456 . . . . 0.0 110.631 179.579 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 26.2 m-80 -56.06 -35.05 66.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.961 -179.424 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -66.69 -33.46 75.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.756 -179.194 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 0.575 HG13 ' HB2' ' A' ' 161' ' ' ALA . 48.9 t -83.49 -32.46 9.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 112.314 0.487 . . . . 0.0 112.314 -178.191 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.81 77.73 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.026 0.441 . . . . 0.0 111.149 -179.451 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 147' ' ' THR . . . . . 0.469 ' N ' ' O ' ' A' ' 145' ' ' VAL . 1.3 p -56.84 -35.44 68.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.941 179.764 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 37.9 p30 -95.65 6.4 49.03 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 -178.527 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 39.4 31.44 0.21 Allowed Glycine 0 C--N 1.333 0.416 0 C-N-CA 121.199 -0.524 . . . . 0.0 113.689 179.585 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 25.8 p-10 -87.21 -4.51 59.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.882 0.341 . . . . 0.0 111.518 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 87.53 3.89 80.71 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.434 -0.889 . . . . 0.0 113.162 179.311 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -134.11 134.16 41.92 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 117.242 0.521 . . . . 0.0 110.557 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 0.42 ' HB2' ' HB ' ' A' ' 119' ' ' ILE . 36.3 mt -100.56 104.66 16.02 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.45 179.127 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 2.9 p -88.17 168.0 13.13 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 121.199 0.523 . . . . 0.0 112.305 -179.078 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 4.3 mp -48.55 -45.63 37.8 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.798 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -56.16 -58.54 7.51 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.267 -179.803 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -64.08 -17.26 63.23 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.575 -0.739 . . . . 0.0 112.21 -178.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 158' ' ' LEU . . . . . 0.931 ' O ' HG23 ' A' ' 162' ' ' VAL . 0.6 OUTLIER -71.83 -70.12 0.35 Allowed 'General case' 0 C--N 1.334 -0.104 0 CA-C-O 120.936 0.398 . . . . 0.0 110.735 179.218 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.467 ' N ' HD23 ' A' ' 159' ' ' LEU . 0.4 OUTLIER -42.11 -38.18 1.62 Allowed 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.155 -179.47 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 31.9 m -54.73 -66.25 0.44 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.996 0.427 . . . . 0.0 110.625 179.399 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 161' ' ' ALA . . . . . 0.575 ' HB2' HG13 ' A' ' 145' ' ' VAL . . . -65.05 -29.16 70.03 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.108 179.616 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 162' ' ' VAL . . . . . 1.116 HG13 HD13 ' A' ' 174' ' ' LEU . 84.4 t -52.64 -85.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.456 -179.385 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -114.97 108.77 17.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.043 0.449 . . . . 0.0 111.814 -179.677 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 164' ' ' ASP . . . . . 0.443 ' OD1' HG23 ' A' ' 88' ' ' ILE . 0.5 OUTLIER -179.65 40.34 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.635 179.505 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 165' ' ' PHE . . . . . 0.504 ' CD2' ' HG2' ' A' ' 173' ' ' GLU . 25.9 p90 -78.84 108.87 12.61 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-O 121.134 0.492 . . . . 0.0 110.655 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 166' ' ' HIS . . . . . 0.485 ' O ' ' CG ' ' A' ' 167' ' ' PHE . 12.8 p80 -126.04 89.13 2.97 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.984 179.697 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 167' ' ' PHE . . . . . 0.485 ' CG ' ' O ' ' A' ' 166' ' ' HIS . 28.4 p90 45.01 33.32 1.01 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.491 -179.564 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . 146.86 98.79 0.22 Allowed Glycine 0 C--N 1.335 0.493 0 C-N-CA 120.31 -0.947 . . . . 0.0 113.614 179.442 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 169' ' ' ARG . . . . . 0.553 ' HD3' HD23 ' A' ' 170' ' ' LEU . 0.0 OUTLIER -122.22 -164.14 1.14 Allowed 'General case' 0 N--CA 1.463 0.199 0 CA-C-O 120.872 0.368 . . . . 0.0 110.931 179.086 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 170' ' ' LEU . . . . . 0.553 HD23 ' HD3' ' A' ' 169' ' ' ARG . 0.0 OUTLIER -111.34 -84.86 0.57 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.609 179.866 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 171' ' ' ASP . . . . . 0.464 ' O ' ' HB ' ' A' ' 172' ' ' VAL . 3.9 t0 -52.87 -24.29 8.82 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.465 179.573 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 172' ' ' VAL . . . . . 0.526 HG23 ' O ' ' A' ' 170' ' ' LEU . 28.6 t 78.95 77.28 0.03 OUTLIER 'Isoleucine or valine' 0 C--O 1.232 0.135 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.053 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 173' ' ' GLU . . . . . 0.504 ' HG2' ' CD2' ' A' ' 165' ' ' PHE . 6.9 mt-10 65.52 178.42 0.2 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.165 179.834 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 174' ' ' LEU . . . . . 1.116 HD13 HG13 ' A' ' 162' ' ' VAL . 11.2 tp -72.29 -60.52 2.19 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.434 179.747 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 175' ' ' LEU . . . . . 0.46 ' H ' HD12 ' A' ' 175' ' ' LEU . 3.0 mp -70.62 166.25 21.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.347 179.588 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.991 0 CA-C-O 118.423 -1.209 . . . . 0.0 112.643 179.961 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 500' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 501' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 502' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' THR . . . . . 0.416 ' O ' HG23 ' A' ' 1' ' ' THR . 6.3 t . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.756 0.313 . . . . 0.0 111.112 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 17.6 p 57.27 21.95 7.2 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.134 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -121.97 -79.28 0.61 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.973 0.416 . . . . 0.0 111.159 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 32.5 mm -77.02 -26.43 15.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.051 179.681 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.559 ' O ' HD12 ' A' ' 9' ' ' LEU . . . -63.21 -44.68 94.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.898 -179.439 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.36 -46.53 89.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.734 0.302 . . . . 0.0 111.293 -179.791 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -56.13 -54.81 40.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.289 -0.414 . . . . 0.0 112.114 -179.007 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.58 -42.76 99.32 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.003 0.371 . . . . 0.0 112.003 -178.395 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.717 HD13 HG23 ' A' ' 81' ' ' ILE . 5.2 mt -78.8 -30.78 45.65 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.207 0.447 . . . . 0.0 112.207 -178.884 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -61.18 -63.59 1.24 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.762 0.315 . . . . 0.0 111.365 -179.42 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.401 ' O ' ' N ' ' A' ' 15' ' ' ARG . 3.1 mmmt -49.22 -46.21 45.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.375 -179.335 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.84 -30.87 1.84 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.869 0.366 . . . . 0.0 110.974 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 44.8 t80 -74.61 -58.53 3.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.136 -179.743 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.75 -13.92 62.53 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.003 179.589 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.401 ' N ' ' O ' ' A' ' 11' ' ' LYS . 48.9 ttt85 -73.1 -24.15 60.6 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 111.79 0.293 . . . . 0.0 111.79 -179.448 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 32.8 m0 -98.21 -92.38 0.25 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.153 -179.302 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 39.56 73.72 0.11 Allowed 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 120.945 0.402 . . . . 0.0 111.544 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.449 ' CE2' ' N ' ' A' ' 32' ' ' GLU . 0.2 OUTLIER -53.19 -50.62 64.29 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.288 -179.314 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 46.1 p30 -98.16 -11.61 22.6 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.187 0.44 . . . . 0.0 112.187 -178.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 72.83 41.72 48.46 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.382 -0.913 . . . . 0.0 111.91 -179.615 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 16.6 p30 -90.5 -7.71 52.28 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 111.874 0.324 . . . . 0.0 111.874 -179.301 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 83.73 21.19 58.36 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.368 -0.92 . . . . 0.0 112.333 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -157.2 176.43 12.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.913 0.387 . . . . 0.0 110.967 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.4 mt -114.63 117.13 30.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.55 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -113.74 170.74 8.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.365 0.602 . . . . 0.0 110.821 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.5 ttm180 -68.18 -34.77 76.91 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.527 179.632 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.61 -19.82 66.06 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.259 179.723 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.38 -29.31 64.79 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 179.661 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -76.93 -36.67 56.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.012 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -64.19 -45.47 88.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.508 179.757 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 20.6 mmmt -62.35 -41.71 98.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.832 0.349 . . . . 0.0 110.58 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.449 ' N ' ' CE2' ' A' ' 18' ' ' PHE . 2.5 tt0 -50.51 -62.81 1.37 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.273 179.833 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.525 ' HB2' ' CD2' ' A' ' 56' ' ' PHE . . . -45.54 -47.04 14.36 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.117 0.484 . . . . 0.0 110.964 179.305 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 49.4 tt0 -63.26 -53.75 47.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.159 179.521 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 15.1 t60 -53.48 -23.44 10.2 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.892 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 60.4 mt -86.37 -49.71 14.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.203 179.386 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -48.13 -42.33 29.01 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.52 178.821 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -60.46 -42.14 95.58 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.471 179.461 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.13 -25.79 67.24 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.54 179.308 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -90.89 0.37 57.51 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.855 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 69.67 13.32 68.52 Favored Glycine 0 CA--C 1.52 0.36 0 C-N-CA 120.461 -0.876 . . . . 0.0 112.964 179.709 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 13.4 mmtp -90.3 159.61 16.57 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.955 0.407 . . . . 0.0 111.596 -179.594 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.97 130.3 38.23 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.253 179.735 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.0 -14.42 62.95 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.523 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -105.38 14.71 47.11 Favored Glycine 0 C--N 1.332 0.335 0 C-N-CA 120.554 -0.831 . . . . 0.0 113.705 -179.014 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.73 -168.22 0.25 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.816 0.341 . . . . 0.0 111.019 179.35 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -90.27 -47.01 8.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.651 179.243 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -62.35 -25.08 67.71 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.384 -179.592 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.499 HG13 ' N ' ' A' ' 50' ' ' GLN . 9.3 p -76.33 -46.61 32.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 179.442 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.499 ' N ' HG13 ' A' ' 49' ' ' VAL . 9.9 tp-100 -60.12 -40.78 90.93 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 178.744 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 65.9 m -59.75 -56.0 27.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.239 178.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 8.7 tp -52.29 -58.84 5.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.205 -179.494 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 53.7 mtpt -51.07 -41.99 60.27 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.443 0.163 . . . . 0.0 110.676 179.455 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -56.94 -40.4 76.32 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.902 0.382 . . . . 0.0 110.051 179.407 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.02 -36.46 77.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.514 179.755 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.525 ' CD2' ' HB2' ' A' ' 33' ' ' ALA . 1.2 m-85 -64.61 -30.26 71.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.867 -179.647 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -65.99 -48.98 61.24 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.316 179.812 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -63.67 -31.03 79.4 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.519 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.802 HD13 HG21 ' A' ' 103' ' ' VAL . 2.7 tp -58.48 -39.41 79.89 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 111.524 0.194 . . . . 0.0 111.524 -178.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 20.3 t80 -65.29 -37.54 87.47 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.405 0.145 . . . . 0.0 110.767 179.427 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 50.6 t0 -41.88 -45.62 3.75 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 120.857 0.36 . . . . 0.0 111.348 -179.632 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -59.54 -37.45 78.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.087 179.781 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 49.9 mt -64.14 -57.93 8.12 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.034 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.652 ' HB1' ' O ' ' A' ' 69' ' ' VAL . . . -52.04 -48.86 64.38 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.306 0.484 . . . . 0.0 112.306 -179.837 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.8 ttmt -63.93 -51.19 65.61 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.925 0.393 . . . . 0.0 111.082 -179.618 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 28.5 tp10 -61.4 -42.45 98.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.235 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.84 51.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.364 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 103.29 -4.3 47.99 Favored Glycine 0 CA--C 1.522 0.469 0 C-N-CA 120.631 -0.795 . . . . 0.0 113.91 178.766 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.652 ' O ' ' HB1' ' A' ' 64' ' ' ALA . 33.6 m -97.21 173.33 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.946 0.373 . . . . 0.0 110.713 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -86.17 177.36 49.1 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.93 -0.653 . . . . 0.0 114.132 -178.575 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.0 -13.21 44.75 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.042 -0.579 . . . . 0.0 110.836 177.862 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -112.41 13.2 20.2 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 116.747 -0.206 . . . . 0.0 111.531 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -94.12 -165.72 36.74 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.548 -0.834 . . . . 0.0 112.672 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.0 m -143.59 155.68 44.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.127 0.489 . . . . 0.0 111.726 -179.265 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.423 HD12 ' N ' ' A' ' 75' ' ' LEU . 3.4 mp -119.66 136.94 54.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.696 178.664 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 5.7 p -83.16 -178.18 7.01 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.923 0.392 . . . . 0.0 111.011 -179.745 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -68.07 -48.64 65.01 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.891 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 53.2 mm-40 -58.74 -33.34 70.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.828 179.724 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -72.55 -42.91 64.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.125 0.488 . . . . 0.0 110.15 179.126 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 76.9 t80 -52.39 -58.28 7.2 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.082 179.596 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.717 HG23 HD13 ' A' ' 9' ' ' LEU . 79.2 mt -50.3 -46.65 25.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.531 -179.269 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.7 -52.91 63.48 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.405 -179.833 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 21.5 t -70.35 -35.62 63.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 120.731 0.3 . . . . 0.0 110.927 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 63.3 m -64.31 -48.1 76.89 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.961 0.41 . . . . 0.0 110.391 179.364 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -51.29 -47.52 62.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.013 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 -61.56 -38.93 89.28 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.824 179.477 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 5.7 mt -58.65 -42.48 88.47 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.601 179.76 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.405 HG23 ' O ' ' A' ' 163' ' ' ARG . 17.7 mm -74.91 -50.32 25.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.644 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -85.61 -75.71 0.36 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.018 -179.413 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.03 -163.98 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.697 0.284 . . . . 0.0 110.785 179.714 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 71.39 139.62 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.406 -179.581 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -70.39 156.71 53.42 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.983 -179.347 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -54.83 -53.54 54.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.435 0.636 . . . . 0.0 109.595 179.386 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.71 -10.24 25.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 114.921 -1.036 . . . . 0.0 112.161 179.493 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -73.62 -42.67 61.16 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.802 0.334 . . . . 0.0 110.633 -179.498 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -70.72 -41.06 72.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.066 0.46 . . . . 0.0 110.206 179.253 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 -66.17 -39.01 89.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.645 -179.495 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 10.5 mtt180 -65.14 -51.54 60.56 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 -178.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.475 HG12 HD12 ' A' ' 59' ' ' LEU . 2.9 t -81.88 -36.27 14.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 112.338 0.496 . . . . 0.0 112.338 -178.316 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.541 ' HG ' HG23 ' A' ' 104' ' ' VAL . 18.7 tp -90.41 -26.1 20.05 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 119.695 -0.802 . . . . 0.0 111.743 -178.481 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.454 ' N ' ' HD2' ' A' ' 102' ' ' PRO . . . -41.93 -54.55 4.34 Favored Glycine 0 CA--C 1.52 0.378 0 C-N-CA 120.985 -0.626 . . . . 0.0 113.118 179.791 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.454 ' HD2' ' N ' ' A' ' 101' ' ' GLY . 57.3 Cg_endo -71.32 -13.31 30.64 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.593 2.195 . . . . 0.0 112.351 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.802 HG21 HD13 ' A' ' 59' ' ' LEU . 31.5 t -81.2 -51.52 15.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.859 0.361 . . . . 0.0 110.711 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.541 HG23 ' HG ' ' A' ' 100' ' ' LEU . 36.2 t -68.91 -33.88 61.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.08 0.467 . . . . 0.0 110.348 179.203 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.99 -51.96 67.48 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.624 179.34 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -47.66 -36.27 12.52 Favored Glycine 0 C--N 1.332 0.329 0 C-N-CA 120.918 -0.658 . . . . 0.0 112.514 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 52.4 mt -72.21 -40.88 66.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.8 0.333 . . . . 0.0 110.724 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.784 HG21 HD22 ' A' ' 155' ' ' LEU . 85.2 t -63.74 -34.54 68.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.077 179.683 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -59.87 -40.54 96.92 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.253 -0.975 . . . . 0.0 111.728 179.692 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -78.71 -24.82 44.73 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 179.463 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 49.2 t -92.31 44.83 1.18 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.132 0.491 . . . . 0.0 111.21 -179.158 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -165.91 108.77 0.78 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.481 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 12.7 mtpp -93.93 1.39 56.33 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.104 178.31 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' ASN . . . . . 0.451 ' O ' ' HB3' ' A' ' 115' ' ' ALA . 45.4 p-10 -104.16 -19.05 14.27 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-O 120.792 0.329 . . . . 0.0 110.601 179.43 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.451 ' HB3' ' O ' ' A' ' 114' ' ' ASN . . . 69.11 51.12 0.54 Allowed 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 116.207 -0.451 . . . . 0.0 112.03 179.216 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 35.7 p-10 -107.48 -14.07 14.93 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.666 -0.243 . . . . 0.0 111.201 179.422 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 80.23 9.53 86.48 Favored Glycine 0 CA--C 1.52 0.402 0 C-N-CA 120.84 -0.695 . . . . 0.0 113.229 179.479 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 2.8 mm100 -123.48 162.9 21.95 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 117.16 0.48 . . . . 0.0 111.492 -179.421 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.467 HD11 HG13 ' A' ' 108' ' ' VAL . 37.7 mm -107.98 99.06 7.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.214 -179.759 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 120' ' ' ASN . . . . . 0.442 ' O ' ' N ' ' A' ' 123' ' ' GLU . 7.5 m-20 -86.07 153.22 22.27 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 179.188 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -45.25 -38.27 5.37 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 111.773 0.286 . . . . 0.0 111.773 -178.814 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -70.49 -30.14 66.85 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 179.413 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 120' ' ' ASN . 8.6 mt-10 -79.95 -46.77 16.11 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 178.571 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 124' ' ' PHE . . . . . 0.836 ' CE2' HD11 ' A' ' 128' ' ' LEU . 5.8 t80 -56.31 -43.07 78.59 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.93 0.395 . . . . 0.0 110.809 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -58.21 -45.79 87.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.24 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -53.62 -34.24 57.81 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.956 -179.568 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 18.7 t90 -85.16 -37.75 19.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.858 0.361 . . . . 0.0 111.36 -179.035 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.836 HD11 ' CE2' ' A' ' 124' ' ' PHE . 0.8 OUTLIER -62.6 -47.94 81.6 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.916 -179.777 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 76.5 p -70.21 -21.55 63.01 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.18 -0.463 . . . . 0.0 109.916 178.589 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -65.74 -37.85 87.51 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.241 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 16.2 mt -87.04 -0.66 56.99 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 111.914 0.338 . . . . 0.0 111.914 -179.115 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 106.65 30.27 4.38 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.18 -1.01 . . . . 0.0 113.621 178.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 133' ' ' MET . . . . . . . . . . . . . 16.8 mmt -101.98 153.08 20.2 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 179.065 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -81.53 153.8 26.59 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.9 0.381 . . . . 0.0 111.047 -179.409 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 7.6 mttt -56.52 -20.1 18.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.543 -179.643 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -83.91 -21.69 31.81 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.945 0.402 . . . . 0.0 111.16 179.475 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -75.12 -39.43 60.57 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.239 -179.565 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 138' ' ' ALA . . . . . 0.798 ' HA ' HD13 ' A' ' 128' ' ' LEU . . . -61.86 -60.72 3.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.983 0.421 . . . . 0.0 110.25 179.577 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -46.66 -45.32 19.17 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.719 179.262 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 140' ' ' GLU . . . . . 0.492 ' O ' ' NE2' ' A' ' 144' ' ' GLN . 2.3 tp10 -69.81 -47.78 61.56 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.932 179.822 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 141' ' ' ALA . . . . . 0.485 ' O ' HG23 ' A' ' 145' ' ' VAL . . . -61.78 -41.63 97.97 Favored 'General case' 0 CA--C 1.519 -0.241 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.639 -179.25 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 142' ' ' PHE . . . . . 0.624 ' CD1' HD12 ' A' ' 153' ' ' LEU . 86.1 t80 -51.01 -57.55 8.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.846 179.71 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 29.3 m120 -58.6 -35.94 73.23 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.626 0.602 . . . . 0.0 112.626 -179.668 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 144' ' ' GLN . . . . . 0.492 ' NE2' ' O ' ' A' ' 140' ' ' GLU . 6.9 mt-30 -64.45 -41.49 96.52 Favored 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -178.879 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 141' ' ' ALA . 12.5 t -81.9 -29.21 9.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.214 -0.448 . . . . 0.0 112.014 -177.638 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -61.37 78.12 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.31 0 CA-C-O 121.203 0.525 . . . . 0.0 111.156 -179.625 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 147' ' ' THR . . . . . 0.456 ' N ' ' O ' ' A' ' 145' ' ' VAL . 1.7 t -54.84 -41.81 71.18 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.464 -0.789 . . . . 0.0 112.722 -179.755 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 42.4 p30 -94.3 6.69 47.92 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.489 0.552 . . . . 0.0 112.489 -178.004 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 37.65 39.8 0.62 Allowed Glycine 0 C--N 1.337 0.615 0 C-N-CA 121.19 -0.529 . . . . 0.0 113.398 179.698 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 40.5 p-10 -93.0 -7.07 46.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.605 0.24 . . . . 0.0 111.487 -179.545 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 95.26 -3.59 66.57 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.619 -0.8 . . . . 0.0 113.207 179.58 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -132.71 135.33 45.72 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-N 117.524 0.662 . . . . 0.0 111.46 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 0.624 HD12 ' CD1' ' A' ' 142' ' ' PHE . 13.3 mt -102.94 100.85 10.83 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.555 179.211 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 19.5 t -88.82 165.79 14.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.065 0.459 . . . . 0.0 111.765 -179.315 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 155' ' ' LEU . . . . . 0.784 HD22 HG21 ' A' ' 108' ' ' VAL . 0.4 OUTLIER -45.43 -41.74 9.63 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.393 -179.936 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.23 -60.71 3.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.264 0.554 . . . . 0.0 110.994 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -62.94 -16.52 59.59 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.337 -0.847 . . . . 0.0 112.102 -179.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 1.7 mt -70.49 -67.21 0.51 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.096 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 2.1 pp -50.6 -25.36 4.08 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.139 -179.514 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 51.7 m -53.49 -25.44 16.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.543 179.439 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 161' ' ' ALA . . . . . 0.688 ' HB1' HG11 ' A' ' 172' ' ' VAL . . . -65.44 -68.98 0.32 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.917 179.462 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 162' ' ' VAL . . . . . 0.409 ' HB ' ' HB2' ' A' ' 174' ' ' LEU . 7.4 p -54.7 -25.51 15.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.729 -0.669 . . . . 0.0 112.036 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 163' ' ' ARG . . . . . 0.405 ' O ' HG23 ' A' ' 88' ' ' ILE . 30.6 ttm180 -27.23 -42.93 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 -179.109 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 164' ' ' ASP . . . . . 0.4 ' N ' ' O ' ' A' ' 162' ' ' VAL . 54.4 t0 -173.37 32.96 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 179.599 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 41.95 29.67 0.14 Allowed 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.699 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 166' ' ' HIS . . . . . 0.522 ' CG ' HD21 ' A' ' 170' ' ' LEU . 78.5 m80 59.12 23.02 11.22 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.857 0.36 . . . . 0.0 111.032 -179.718 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 167' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 58.14 16.83 4.12 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.095 -0.502 . . . . 0.0 112.06 179.3 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 168' ' ' GLY . . . . . 0.438 ' O ' ' CB ' ' A' ' 169' ' ' ARG . . . -156.31 -38.2 0.02 OUTLIER Glycine 0 CA--C 1.517 0.218 0 C-N-CA 120.55 -0.833 . . . . 0.0 112.66 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 169' ' ' ARG . . . . . 0.438 ' CB ' ' O ' ' A' ' 168' ' ' GLY . 27.1 ttp180 84.0 116.3 0.05 OUTLIER 'General case' 0 N--CA 1.467 0.403 0 CA-C-O 121.009 0.433 . . . . 0.0 111.254 179.786 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 170' ' ' LEU . . . . . 0.667 HD23 ' N ' ' A' ' 170' ' ' LEU . 0.1 OUTLIER -105.67 -82.19 0.53 Allowed 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.521 -179.715 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 32.8 m-20 -152.29 32.62 0.52 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.646 -179.047 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 172' ' ' VAL . . . . . 0.688 HG11 ' HB1' ' A' ' 161' ' ' ALA . 59.4 t -108.66 -86.15 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 C-N-CA 121.128 -0.229 . . . . 0.0 111.568 -179.795 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 65.07 110.83 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.523 0.201 . . . . 0.0 110.764 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 174' ' ' LEU . . . . . 0.511 HD21 HG22 ' A' ' 104' ' ' VAL . 0.6 OUTLIER -95.63 157.68 15.79 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.757 0.313 . . . . 0.0 110.757 179.702 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 175' ' ' LEU . . . . . . . . . . . . . 28.8 mt 60.36 46.74 9.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.756 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.994 0 CA-C-O 118.316 -1.269 . . . . 0.0 112.202 -179.725 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 500' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 501' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 502' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 2.2 t . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.818 0.342 . . . . 0.0 111.391 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.1 m 69.37 21.61 6.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.191 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -51.78 110.3 0.45 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.971 0.415 . . . . 0.0 111.045 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.471 ' H ' HD12 ' A' ' 4' ' ' ILE . 4.1 mp -81.11 -29.87 11.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.292 179.801 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.556 ' HB2' ' O ' ' A' ' 166' ' ' HIS . . . -62.95 -34.6 77.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.783 -179.522 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.04 -51.41 69.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.929 0.395 . . . . 0.0 110.879 -179.743 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -53.33 -47.74 69.06 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.258 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.59 -47.95 83.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.567 -179.093 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.771 HD13 HG23 ' A' ' 81' ' ' ILE . 1.2 mt -75.87 -28.99 58.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.546 -178.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.48 -58.85 6.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.817 0.341 . . . . 0.0 110.697 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.418 ' O ' ' N ' ' A' ' 15' ' ' ARG . 7.4 mtpt -55.81 -43.3 76.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.973 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -46.05 -33.85 3.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.192 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 17.5 t80 -73.29 -60.04 2.43 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.019 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.74 -12.78 61.9 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.721 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.418 ' N ' ' O ' ' A' ' 11' ' ' LYS . 4.9 mmm-85 -72.31 -22.31 61.21 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.618 0.247 . . . . 0.0 111.285 -179.245 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 8.0 m0 -101.33 -91.72 0.32 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.592 -0.276 . . . . 0.0 111.042 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 41.15 73.92 0.12 Allowed 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.069 0.461 . . . . 0.0 111.331 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -54.39 -51.68 64.07 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.541 -179.141 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -96.66 -13.46 22.79 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -179.023 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 75.9 44.35 19.69 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.426 -0.892 . . . . 0.0 112.135 -179.666 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.57 ' ND2' ' HB3' ' A' ' 23' ' ' ALA . 6.1 p-10 -93.21 -12.3 30.57 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.631 0.234 . . . . 0.0 111.631 -179.663 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 83.55 21.62 57.81 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.527 -0.844 . . . . 0.0 112.146 -179.59 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.57 ' HB3' ' ND2' ' A' ' 21' ' ' ASN . . . -153.77 175.96 12.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.706 0.288 . . . . 0.0 110.338 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -115.43 121.47 42.84 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.831 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -120.64 171.85 8.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.555 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -66.37 -32.34 73.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.384 -179.724 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.69 -20.84 65.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.242 179.79 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.27 -35.95 71.54 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 179.506 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.423 ' CE2' HD22 ' A' ' 59' ' ' LEU . 47.2 m-85 -77.17 -38.31 51.98 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.88 179.827 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.405 ' HB3' ' HE2' ' A' ' 53' ' ' LYS . 33.3 mt-10 -65.48 -42.55 92.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.147 179.504 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.8 tptt -66.04 -42.54 89.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.936 0.398 . . . . 0.0 110.134 179.542 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -50.82 -59.43 4.12 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.286 179.624 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -46.28 -45.74 17.46 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.172 0.51 . . . . 0.0 110.338 179.444 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -62.21 -52.71 62.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.967 179.124 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 9.0 t60 -56.07 -33.3 64.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.497 179.534 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 13.4 mm -71.8 -55.19 14.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.241 179.219 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.662 ' HB2' HG13 ' A' ' 49' ' ' VAL . . . -43.0 -42.09 3.65 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.416 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.6 -37.27 85.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.677 179.5 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -58.66 -34.74 71.56 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 179.3 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -90.23 3.39 53.67 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.745 179.158 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 70.62 -153.5 51.6 Favored Glycine 0 C--N 1.336 0.53 0 C-N-CA 120.981 -0.628 . . . . 0.0 112.629 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 6.2 mtmt 73.4 -157.44 0.08 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.664 0.268 . . . . 0.0 111.415 179.619 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.568 ' HB2' ' HB2' ' A' ' 46' ' ' ALA . 0.7 OUTLIER -69.42 -157.45 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.265 0 CA-C-O 120.83 0.348 . . . . 0.0 111.862 -178.992 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -140.33 -58.85 0.54 Allowed 'General case' 0 C--O 1.231 0.124 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 178.295 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -90.3 28.52 7.38 Favored Glycine 0 N--CA 1.452 -0.246 0 CA-C-N 114.766 -1.106 . . . . 0.0 111.9 179.183 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.568 ' HB2' ' HB2' ' A' ' 43' ' ' ASP . . . -71.45 -168.33 0.32 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.826 0.346 . . . . 0.0 111.277 179.508 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -83.12 -51.42 7.53 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.053 179.415 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -55.96 -33.34 64.69 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.652 -179.248 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.662 HG13 ' HB2' ' A' ' 37' ' ' ALA . 1.5 t -77.05 -42.79 32.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 179.764 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -61.04 -40.94 95.54 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 178.784 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 97.2 m -57.99 -56.57 20.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.21 179.55 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.607 HD11 ' CE2' ' A' ' 56' ' ' PHE . 37.3 tp -50.4 -57.05 8.87 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.846 -0.341 . . . . 0.0 110.212 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.405 ' HE2' ' HB3' ' A' ' 30' ' ' GLU . 5.7 mtpt -50.1 -36.92 31.5 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.018 0.437 . . . . 0.0 110.173 179.011 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -61.04 -45.81 93.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.564 179.363 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.63 -55.77 10.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.857 179.634 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.607 ' CE2' HD11 ' A' ' 52' ' ' LEU . 0.7 OUTLIER -47.44 -29.97 3.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.822 179.781 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -68.05 -52.31 28.81 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 121.009 -0.615 . . . . 0.0 113.127 -179.453 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -54.96 -30.71 54.48 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.831 -179.354 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.423 HD22 ' CE2' ' A' ' 29' ' ' PHE . 7.9 tt -58.12 -33.39 69.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.759 0.279 . . . . 0.0 111.3 -179.44 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.475 ' HA ' HD12 ' A' ' 63' ' ' LEU . 28.1 t80 -61.89 -44.35 96.97 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.873 0.368 . . . . 0.0 110.37 179.592 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -42.35 -49.81 5.11 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.154 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.425 ' CD1' HG21 ' A' ' 99' ' ' VAL . 6.5 t80 -58.79 -41.22 86.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.122 179.812 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.475 HD12 ' HA ' ' A' ' 60' ' ' PHE . 29.3 mt -64.34 -53.74 43.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.902 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.524 ' HB1' ' O ' ' A' ' 69' ' ' VAL . . . -55.71 -50.58 69.95 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 111.855 0.317 . . . . 0.0 111.855 179.444 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.52 -50.22 72.25 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.91 0.386 . . . . 0.0 111.013 -179.51 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -61.47 -39.88 92.49 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.762 179.643 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -78.27 -26.15 47.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.625 -179.613 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 104.05 0.85 45.02 Favored Glycine 0 CA--C 1.52 0.365 0 C-N-CA 120.69 -0.766 . . . . 0.0 113.968 178.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.524 ' O ' ' HB1' ' A' ' 64' ' ' ALA . 31.3 m -102.3 174.22 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 117.158 0.479 . . . . 0.0 110.388 179.552 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -87.7 -179.84 47.63 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.873 -0.68 . . . . 0.0 114.049 -178.686 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.6 m -64.35 -13.04 48.17 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.338 -0.431 . . . . 0.0 111.061 178.231 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 80.8 m-20 -114.03 13.76 18.24 Favored 'General case' 0 C--N 1.333 -0.141 0 N-CA-C 111.703 0.26 . . . . 0.0 111.703 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -94.21 -165.62 36.59 Favored Glycine 0 C--N 1.331 0.264 0 C-N-CA 120.456 -0.878 . . . . 0.0 112.691 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -143.11 155.41 44.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.102 0.477 . . . . 0.0 111.588 -179.515 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.455 HD11 ' HB3' ' A' ' 63' ' ' LEU . 0.2 OUTLIER -117.53 139.56 50.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.07 179.116 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 69.9 p -83.98 -177.4 6.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.755 0.312 . . . . 0.0 111.159 -179.668 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -71.72 -49.57 38.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.625 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -59.44 -32.35 70.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.562 179.796 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -72.68 -43.2 63.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.141 0.496 . . . . 0.0 110.098 179.169 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.705 ' O ' HG23 ' A' ' 84' ' ' THR . 23.6 t80 -51.48 -56.7 11.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.811 179.463 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.771 HG23 HD13 ' A' ' 9' ' ' LEU . 52.2 mt -54.14 -50.3 55.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.922 -179.464 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.2 ttm180 -56.29 -51.71 67.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.44 -179.387 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 38.5 t -71.99 -39.58 66.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 111.773 0.286 . . . . 0.0 111.773 -179.434 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.705 HG23 ' O ' ' A' ' 80' ' ' PHE . 40.0 p -60.69 -44.35 96.65 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.05 0.452 . . . . 0.0 110.178 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.432 ' HG2' ' NE2' ' A' ' 166' ' ' HIS . 16.6 mt-10 -50.02 -54.44 20.14 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.299 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.414 ' O ' ' N ' ' A' ' 90' ' ' GLU . 11.1 m-20 -57.71 -36.88 72.6 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.294 -179.747 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.6 mt -57.28 -43.03 82.76 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.519 -179.708 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 3.8 mt -72.8 -53.25 19.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.831 0.348 . . . . 0.0 111.139 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 -88.2 -68.74 0.74 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.176 -179.529 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 86' ' ' ASN . 0.8 OUTLIER -57.08 -164.8 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.878 0.37 . . . . 0.0 111.11 -179.91 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 61.0 -83.96 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.037 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' GLY . . . . . 0.41 ' N ' ' OG ' ' A' ' 95' ' ' SER . . . 135.16 175.71 13.99 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.993 179.775 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.88 -59.95 4.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.099 0.476 . . . . 0.0 111.243 -179.864 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -57.62 -18.09 18.15 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.708 -0.678 . . . . 0.0 112.139 -179.055 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.41 ' OG ' ' N ' ' A' ' 92' ' ' GLY . 0.0 OUTLIER -78.41 -45.31 22.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.074 0.464 . . . . 0.0 110.674 179.928 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.79 ' CE2' HD22 ' A' ' 100' ' ' LEU . 21.2 t80 -70.46 -40.6 73.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.542 179.716 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 25.7 t30 -68.34 -35.06 77.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.65 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 5.5 mtm180 -62.75 -56.65 15.65 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -179.199 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.425 HG21 ' CD1' ' A' ' 62' ' ' TYR . 45.4 t -78.81 -36.23 18.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 112.948 0.721 . . . . 0.0 112.948 -177.897 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.79 HD22 ' CE2' ' A' ' 96' ' ' PHE . 1.6 tp -89.52 -26.06 21.08 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 119.848 -0.741 . . . . 0.0 112.233 -177.879 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -44.73 -59.17 4.43 Favored Glycine 0 CA--C 1.521 0.462 0 C-N-CA 120.642 -0.79 . . . . 0.0 112.682 179.74 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -63.46 -19.04 67.13 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.85 2.367 . . . . 0.0 112.067 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 73.1 t -79.62 -48.18 21.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.184 179.698 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.593 ' O ' HG23 ' A' ' 108' ' ' VAL . 2.8 t -69.88 -33.93 57.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.948 0.404 . . . . 0.0 110.205 179.27 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.9 -57.17 12.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.476 179.362 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -44.53 -38.48 5.37 Favored Glycine 0 C--N 1.333 0.378 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.116 179.627 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 22.7 mm -74.28 -38.74 48.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.724 0.297 . . . . 0.0 111.237 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.755 HG13 ' CD1' ' A' ' 119' ' ' ILE . 75.8 t -61.81 -35.44 67.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.096 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -71.73 -26.06 73.69 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.473 -0.87 . . . . 0.0 112.514 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 7.9 mtp -80.59 -30.72 36.87 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.363 0.125 . . . . 0.0 110.92 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 47.5 m -86.88 -37.42 17.7 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.772 0.656 . . . . 0.0 112.772 -177.451 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' ASP . . . . . 0.437 ' O ' ' HB2' ' A' ' 113' ' ' LYS . 3.6 m-20 -63.45 -71.7 0.16 Allowed 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.286 -0.566 . . . . 0.0 110.052 -179.406 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.437 ' HB2' ' O ' ' A' ' 112' ' ' ASP . 0.3 OUTLIER 81.38 2.21 1.56 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.116 -178.438 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 114' ' ' ASN . . . . . 0.523 ' O ' ' HB3' ' A' ' 115' ' ' ALA . 14.2 p30 -107.94 -21.17 12.93 Favored 'General case' 0 C--O 1.231 0.111 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 178.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.523 ' HB3' ' O ' ' A' ' 114' ' ' ASN . . . 75.44 45.77 0.13 Allowed 'General case' 0 C--O 1.231 0.124 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.975 179.389 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 16.5 p30 -106.39 -16.37 14.57 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.012 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 81.32 8.07 87.6 Favored Glycine 0 CA--C 1.52 0.353 0 C-N-CA 120.699 -0.762 . . . . 0.0 113.409 179.431 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -123.2 163.85 19.84 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 117.261 0.531 . . . . 0.0 111.813 -179.483 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.755 ' CD1' HG13 ' A' ' 108' ' ' VAL . 42.1 mm -111.7 99.73 9.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.411 -179.041 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' ASN . . . . . 0.422 ' O ' ' N ' ' A' ' 123' ' ' GLU . 1.1 m-80 -85.69 157.8 20.22 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 110.143 -0.317 . . . . 0.0 110.143 179.439 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.491 ' HA ' ' CD2' ' A' ' 142' ' ' PHE . . . -47.74 -38.72 16.03 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 111.64 0.237 . . . . 0.0 111.64 -178.689 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -70.26 -28.22 65.06 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 179.073 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 120' ' ' ASN . 57.1 mt-10 -82.92 -47.52 11.7 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.818 178.777 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 124' ' ' PHE . . . . . 0.441 ' CE2' HD11 ' A' ' 128' ' ' LEU . 2.8 t80 -55.81 -51.58 66.96 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.839 0.352 . . . . 0.0 110.856 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.512 ' O ' HG23 ' A' ' 129' ' ' THR . . . -53.75 -42.48 68.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.747 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -53.84 -33.84 57.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.195 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' TRP . . . . . 0.587 ' O ' ' HB3' ' A' ' 130' ' ' ALA . 23.3 t90 -82.7 -49.52 9.69 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 111.696 0.258 . . . . 0.0 111.696 -179.087 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.441 HD11 ' CE2' ' A' ' 124' ' ' PHE . 0.2 OUTLIER -54.12 -45.9 72.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.883 0.373 . . . . 0.0 110.488 -179.529 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 129' ' ' THR . . . . . 0.512 HG23 ' O ' ' A' ' 125' ' ' ALA . 25.2 p -70.85 -21.02 62.48 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.031 178.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 130' ' ' ALA . . . . . 0.587 ' HB3' ' O ' ' A' ' 127' ' ' TRP . . . -65.3 -37.49 87.31 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.046 179.491 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 3.2 mt -86.97 -2.08 58.35 Favored 'General case' 0 CA--C 1.529 0.16 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 -178.724 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 109.9 29.63 3.75 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.259 -0.972 . . . . 0.0 113.251 179.317 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' MET . . . . . 0.408 ' HG2' ' O ' ' A' ' 128' ' ' LEU . 38.5 mmm -101.93 153.06 20.21 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 179.219 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 56.6 m -83.23 159.79 21.9 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.718 0.295 . . . . 0.0 110.751 179.758 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 2.2 ttpm? -62.17 -16.77 55.2 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.809 -179.442 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -82.77 -27.51 30.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.048 179.661 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -73.97 -41.91 61.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.344 -179.773 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 138' ' ' ALA . . . . . 0.496 ' HB1' ' HA ' ' A' ' 125' ' ' ALA . . . -59.26 -57.85 11.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.859 0.361 . . . . 0.0 110.836 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -49.55 -44.04 46.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.096 179.708 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -70.81 -48.28 54.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.733 -179.451 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 141' ' ' ALA . . . . . 0.813 ' O ' HG23 ' A' ' 145' ' ' VAL . . . -62.3 -34.28 76.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.064 0.459 . . . . 0.0 111.367 -179.207 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 142' ' ' PHE . . . . . 0.733 ' CD2' HD11 ' A' ' 153' ' ' LEU . 31.9 t80 -56.95 -59.05 5.63 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.867 179.555 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 12.1 t30 -56.45 -36.27 68.85 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 115.76 -0.654 . . . . 0.0 112.504 -179.055 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -68.49 -27.42 66.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.93 0.395 . . . . 0.0 111.097 -179.395 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 0.813 HG23 ' O ' ' A' ' 141' ' ' ALA . 44.5 t -84.66 -36.58 11.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.033 -0.53 . . . . 0.0 112.428 -178.699 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.51 78.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.125 0.488 . . . . 0.0 111.667 -179.084 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 147' ' ' THR . . . . . 0.431 ' N ' ' O ' ' A' ' 145' ' ' VAL . 24.0 m -56.34 -35.8 68.04 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 115.6 -0.727 . . . . 0.0 112.497 179.723 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 54.6 p30 -96.45 7.59 46.13 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -178.319 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 42.27 35.27 1.77 Allowed Glycine 0 C--N 1.332 0.358 0 C-N-CA 120.968 -0.634 . . . . 0.0 113.273 179.596 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 31.1 p-10 -91.78 -6.57 51.58 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-O 120.535 0.207 . . . . 0.0 111.414 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 88.2 5.59 76.11 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.497 -0.858 . . . . 0.0 113.374 179.17 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -133.05 134.73 44.75 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 117.269 0.534 . . . . 0.0 110.891 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 0.733 HD11 ' CD2' ' A' ' 142' ' ' PHE . 47.6 mt -97.37 99.54 10.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.113 179.394 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.1 163.36 17.03 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.082 0.468 . . . . 0.0 111.723 -178.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -47.98 -44.3 30.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.496 -179.678 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 33.5 t0 -56.38 -59.63 4.69 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.895 0.378 . . . . 0.0 111.039 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 77.4 mt-10 -65.02 -15.42 62.3 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.975 -0.557 . . . . 0.0 112.343 -179.028 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 158' ' ' LEU . . . . . 0.755 HD11 HG13 ' A' ' 119' ' ' ILE . 5.0 mt -70.63 -56.03 7.42 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.078 0.465 . . . . 0.0 110.557 179.526 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.514 ' N ' HD23 ' A' ' 159' ' ' LEU . 0.3 OUTLIER -57.88 -40.01 79.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.958 -179.707 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 3.0 p -52.97 -62.37 1.7 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.87 0.367 . . . . 0.0 110.205 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 161' ' ' ALA . . . . . 0.496 ' HB2' HG13 ' A' ' 145' ' ' VAL . . . -63.58 -56.16 18.11 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.378 179.006 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 162' ' ' VAL . . . . . 0.721 HG23 ' O ' ' A' ' 158' ' ' LEU . 61.7 t -52.63 135.33 14.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.334 179.772 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 163' ' ' ARG . . . . . 0.544 ' HD3' HD12 ' A' ' 174' ' ' LEU . 8.4 tpt180 56.93 73.36 0.46 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.088 179.765 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -146.74 102.4 3.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.828 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 165' ' ' PHE . . . . . 0.424 ' HA ' ' CG ' ' A' ' 169' ' ' ARG . 28.4 p90 -178.53 143.98 0.28 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.256 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 166' ' ' HIS . . . . . 0.556 ' O ' ' HB2' ' A' ' 5' ' ' ALA . 0.7 OUTLIER 179.32 -70.24 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.996 179.797 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 167' ' ' PHE . . . . . . . . . . . . . 43.1 m-85 -76.92 -78.65 0.12 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.661 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -146.32 40.82 1.03 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.258 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 169' ' ' ARG . . . . . 0.424 ' CG ' ' HA ' ' A' ' 165' ' ' PHE . 0.0 OUTLIER -48.22 164.92 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.004 0.43 . . . . 0.0 111.249 -179.793 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 170' ' ' LEU . . . . . 0.892 ' HG ' HG23 ' A' ' 172' ' ' VAL . 0.5 OUTLIER -87.42 -158.11 0.43 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.071 -179.789 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -76.43 58.66 1.35 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.856 0.36 . . . . 0.0 111.189 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 172' ' ' VAL . . . . . 0.892 HG23 ' HG ' ' A' ' 170' ' ' LEU . 82.1 t -107.34 -91.11 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.199 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 173' ' ' GLU . . . . . 0.452 ' N ' HG12 ' A' ' 172' ' ' VAL . 0.2 OUTLIER 63.06 -176.88 0.15 Allowed 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.64 0.257 . . . . 0.0 110.849 -179.839 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 174' ' ' LEU . . . . . 0.544 HD12 ' HD3' ' A' ' 163' ' ' ARG . 0.5 OUTLIER -105.4 -52.04 2.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.356 -179.668 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 175' ' ' LEU . . . . . . . . . . . . . 5.0 mp -117.98 -178.77 3.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.844 0.354 . . . . 0.0 111.199 -179.709 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.33 -1.261 . . . . 0.0 112.363 179.998 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 500' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 501' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 502' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 3.9 p . . . . . 0 N--CA 1.489 1.496 0 CA-C-O 120.566 0.222 . . . . 0.0 111.128 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.6 p -55.63 -177.32 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.581 -0.281 . . . . 0.0 111.024 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -179.4 -80.56 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 121.057 0.456 . . . . 0.0 112.07 -179.519 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 23.0 mt -81.51 -30.06 10.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.712 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.636 ' O ' HD12 ' A' ' 9' ' ' LEU . . . -60.63 -35.34 75.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.541 -179.219 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 m -60.46 -49.37 77.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.082 0.467 . . . . 0.0 110.867 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.04 -50.79 68.2 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.798 -179.46 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -61.7 -50.09 73.83 Favored 'General case' 0 N--CA 1.463 0.216 0 N-CA-C 111.806 0.299 . . . . 0.0 111.806 -179.038 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.887 HD13 HG23 ' A' ' 81' ' ' ILE . 2.8 mt -73.14 -29.17 62.69 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.34 -179.013 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.96 -47.74 84.54 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.925 -179.48 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 35.3 mttt -65.3 -46.15 81.53 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.02 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.451 ' CZ ' ' CE2' ' A' ' 165' ' ' PHE . 1.7 mpt_? -47.42 -28.2 2.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.925 179.735 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.485 ' CD1' ' HA ' ' A' ' 77' ' ' GLU . 80.5 t80 -74.88 -62.86 1.4 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.239 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -70.06 -23.76 63.13 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 120.689 0.281 . . . . 0.0 111.19 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 45.5 ttt85 -72.23 -13.93 61.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.55 -179.464 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.422 ' HA ' ' CE3' ' A' ' 16' ' ' TRP . 2.2 m95 -113.34 20.49 16.1 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 111.992 0.368 . . . . 0.0 111.992 -179.564 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.8 81.86 6.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.181 0.515 . . . . 0.0 110.557 179.774 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.479 ' CZ ' ' HB3' ' A' ' 31' ' ' LYS . 0.2 OUTLIER -54.51 -51.89 63.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.033 -179.547 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -97.94 -14.05 20.84 Favored 'General case' 0 CA--C 1.53 0.199 0 N-CA-C 111.752 0.278 . . . . 0.0 111.752 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 74.99 46.32 17.06 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.563 -0.827 . . . . 0.0 112.967 179.795 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.4 p-10 -96.23 -8.03 34.05 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 117.035 0.418 . . . . 0.0 111.521 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 83.12 18.81 64.07 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.343 -0.932 . . . . 0.0 111.908 -179.362 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.743 ' HB1' ' HB2' ' A' ' 74' ' ' SER . . . -152.7 173.84 14.75 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.854 0.359 . . . . 0.0 110.748 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.3 mt -115.82 120.66 40.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.849 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -119.64 172.4 7.7 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.981 0.42 . . . . 0.0 111.096 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.68 -36.79 78.98 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.211 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.56 -21.92 65.94 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.037 179.463 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.432 ' OD1' ' HB2' ' A' ' 18' ' ' PHE . 13.1 m-20 -72.77 -33.16 66.13 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.121 179.448 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -75.36 -39.97 58.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.816 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 67.6 mt-10 -63.58 -37.72 88.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.191 179.541 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.479 ' HB3' ' CZ ' ' A' ' 18' ' ' PHE . 2.6 mttt -65.31 -44.59 87.39 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.798 0.332 . . . . 0.0 110.897 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.42 ' HG2' HD11 ' A' ' 36' ' ' ILE . 9.8 tt0 -46.72 -63.47 1.01 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.621 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.546 ' HA ' HD12 ' A' ' 36' ' ' ILE . . . -46.71 -45.45 19.53 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.891 0.376 . . . . 0.0 110.993 179.498 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -63.37 -57.54 10.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.863 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 24.2 t60 -52.7 -29.68 28.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.861 0.362 . . . . 0.0 110.396 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.546 HD12 ' HA ' ' A' ' 33' ' ' ALA . 19.8 mt -75.56 -50.99 22.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.34 179.717 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -43.21 -48.31 6.52 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.469 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.5 -35.99 75.19 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 179.077 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.454 ' HB3' ' O ' ' A' ' 36' ' ' ILE . . . -61.89 -30.37 70.83 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 178.7 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -93.43 -0.11 56.6 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.632 179.232 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.4 ' O ' ' HB3' ' A' ' 42' ' ' LYS . . . 71.99 -151.64 47.62 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 121.21 -0.519 . . . . 0.0 113.212 179.821 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.4 ' HB3' ' O ' ' A' ' 41' ' ' GLY . 7.7 tptt 68.22 -99.2 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 122.607 0.363 . . . . 0.0 110.876 -179.795 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -171.56 134.02 0.82 Allowed 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 121.031 0.443 . . . . 0.0 111.497 179.76 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.89 -8.86 32.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.923 -0.58 . . . . 0.0 112.25 -179.678 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -104.99 15.26 48.16 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.163 -1.018 . . . . 0.0 113.535 -179.107 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.443 ' HB3' HG23 ' A' ' 49' ' ' VAL . . . -72.29 166.3 22.73 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.861 0.362 . . . . 0.0 111.113 179.193 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.18 -47.98 75.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.18 0.514 . . . . 0.0 110.617 179.385 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 90.6 mt-10 -56.31 -31.42 63.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.598 -0.728 . . . . 0.0 112.753 -178.66 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.443 HG23 ' HB3' ' A' ' 46' ' ' ALA . 4.7 t -76.66 -38.88 31.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 C-N-CA 120.604 -0.439 . . . . 0.0 110.984 -179.46 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -59.72 -40.71 88.93 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 179.064 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 82.8 m -55.7 -59.26 5.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.93 179.107 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 17.4 tp -48.94 -58.54 4.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.884 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 27.2 mtpt -50.39 -42.37 53.48 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.483 0.182 . . . . 0.0 111.414 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -58.7 -41.53 86.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.835 0.35 . . . . 0.0 110.236 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.02 -49.05 63.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.876 179.288 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -52.41 -31.06 32.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.658 179.727 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -65.83 -51.16 48.58 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.361 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -59.85 -30.74 70.18 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.51 -0.853 . . . . 0.0 111.85 179.62 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.429 ' O ' HD12 ' A' ' 59' ' ' LEU . 12.6 tp -55.64 -32.98 63.64 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.93 0.395 . . . . 0.0 110.452 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -63.39 -39.48 94.63 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.223 179.143 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -43.6 -52.82 6.08 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.695 179.724 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.464 ' HB2' HG21 ' A' ' 99' ' ' VAL . 5.4 t80 -56.06 -39.88 72.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.258 -179.703 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 10.8 mt -65.96 -56.53 11.2 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.248 -179.381 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -56.32 -45.9 80.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.576 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.32 -55.98 15.23 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.923 0.392 . . . . 0.0 111.331 -179.714 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -61.14 -40.18 92.85 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.503 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -77.52 -25.29 50.15 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.992 0.425 . . . . 0.0 111.097 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 75.26 35.78 47.33 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.987 -0.625 . . . . 0.0 113.564 178.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 48.1 t -106.98 -80.29 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.516 0.198 . . . . 0.0 111.066 -179.716 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 166.51 157.96 10.74 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.578 -0.82 . . . . 0.0 112.548 -179.571 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.1 m -60.86 -23.48 65.17 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 122.434 0.294 . . . . 0.0 111.436 179.372 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -113.06 14.24 19.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.357 179.762 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -94.53 -165.21 36.05 Favored Glycine 0 C--N 1.332 0.331 0 C-N-CA 120.4 -0.905 . . . . 0.0 112.395 179.652 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.743 ' HB2' ' HB1' ' A' ' 23' ' ' ALA . 20.5 p -143.3 155.95 44.6 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.024 0.44 . . . . 0.0 111.934 -179.329 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.8 mp -116.62 136.14 53.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.238 179.111 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 16.6 p -85.17 -177.57 6.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.74 0.305 . . . . 0.0 110.793 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.485 ' HA ' ' CD1' ' A' ' 13' ' ' PHE . 2.4 tt0 -71.36 -47.95 53.19 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.758 -179.609 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.0 -33.07 70.29 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.476 179.691 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -73.46 -42.48 61.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.949 0.404 . . . . 0.0 110.273 179.13 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.406 ' CD1' ' OG1' ' A' ' 84' ' ' THR . 48.5 t80 -53.69 -54.77 33.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.568 179.127 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.887 HG23 HD13 ' A' ' 9' ' ' LEU . 9.9 mt -53.86 -51.46 44.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.622 -0.717 . . . . 0.0 112.437 -179.095 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.16 -50.09 75.38 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 111.774 0.287 . . . . 0.0 111.774 -179.233 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 74.7 t -73.13 -37.82 53.64 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.214 0 CA-C-O 120.707 0.289 . . . . 0.0 111.569 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.665 ' O ' HD12 ' A' ' 88' ' ' ILE . 51.8 m -61.15 -46.37 90.82 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.905 0.383 . . . . 0.0 110.37 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -50.24 -49.01 54.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.342 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -59.19 -36.85 76.08 Favored 'General case' 0 C--O 1.231 0.109 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.16 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.2 mt -60.44 -48.98 79.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.089 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.665 HD12 ' O ' ' A' ' 84' ' ' THR . 2.6 mp -70.8 -44.49 76.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.183 -179.556 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -88.5 -84.73 0.2 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.908 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -57.23 -162.18 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.619 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 72.01 145.45 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.838 0.351 . . . . 0.0 110.146 -179.652 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -82.35 159.6 39.12 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.641 -0.79 . . . . 0.0 113.075 -179.378 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.05 -52.95 61.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.017 0.436 . . . . 0.0 110.328 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.28 -11.47 32.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.771 -0.65 . . . . 0.0 112.507 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.11 -45.72 39.26 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.121 0.486 . . . . 0.0 110.333 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -69.03 -42.32 76.51 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.544 179.508 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -67.07 -37.48 84.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.663 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 7.3 mtp180 -63.91 -51.39 64.69 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.839 -179.31 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.464 HG21 ' HB2' ' A' ' 62' ' ' TYR . 3.7 p -79.6 -40.98 21.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 -177.116 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.492 HD23 ' HB2' ' A' ' 159' ' ' LEU . 13.7 tp -87.68 -25.08 23.67 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.786 -0.643 . . . . 0.0 112.125 -177.482 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.4 ' N ' ' HD2' ' A' ' 102' ' ' PRO . . . -44.89 -62.73 2.84 Favored Glycine 0 CA--C 1.521 0.426 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.998 179.559 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.4 ' HD2' ' N ' ' A' ' 101' ' ' GLY . 18.6 Cg_endo -60.67 -17.66 50.7 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.655 2.237 . . . . 0.0 112.316 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 20.0 t -79.17 -52.08 15.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.672 -179.061 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.449 ' O ' HG23 ' A' ' 108' ' ' VAL . 59.1 t -66.27 -30.9 51.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.244 0.545 . . . . 0.0 110.745 179.253 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.47 ' HG2' ' CD2' ' A' ' 155' ' ' LEU . 0.0 OUTLIER -55.81 -55.24 34.8 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.668 179.65 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -46.32 -38.89 9.3 Favored Glycine 0 C--N 1.331 0.262 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.492 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.606 HD13 ' CZ2' ' A' ' 127' ' ' TRP . 20.2 mt -71.87 -38.98 66.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 121.037 0.446 . . . . 0.0 110.878 -179.858 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.83 ' HA ' HD11 ' A' ' 119' ' ' ILE . 85.3 t -61.69 -37.68 78.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.905 179.756 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -69.41 -27.93 73.04 Favored Glycine 0 CA--C 1.52 0.375 0 C-N-CA 120.435 -0.888 . . . . 0.0 112.777 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -80.74 -31.77 35.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.546 0.173 . . . . 0.0 111.052 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 63.6 m -90.74 -21.49 21.55 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 113.058 0.762 . . . . 0.0 113.058 -177.617 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' ASP . . . . . 0.488 ' O ' ' HB2' ' A' ' 113' ' ' LYS . 24.6 m-20 -68.24 -74.03 0.13 Allowed 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 119.943 -0.703 . . . . 0.0 110.686 -178.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.488 ' HB2' ' O ' ' A' ' 112' ' ' ASP . 3.5 mttm 83.53 -4.18 1.18 Allowed 'General case' 0 C--O 1.232 0.135 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.799 -177.625 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' ASN . . . . . 0.49 ' O ' ' HB3' ' A' ' 115' ' ' ALA . 0.2 OUTLIER -108.88 -15.64 14.33 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 178.069 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.49 ' HB3' ' O ' ' A' ' 114' ' ' ASN . . . 71.56 49.23 0.3 Allowed 'General case' 0 C--O 1.231 0.085 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.755 179.41 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 14.1 p-10 -110.11 -15.54 14.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.364 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 78.39 11.48 85.27 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.906 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -123.0 164.19 19.01 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-O 121.092 0.472 . . . . 0.0 111.596 -179.243 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.83 HD11 ' HA ' ' A' ' 108' ' ' VAL . 40.3 mm -111.25 99.54 8.89 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.315 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.582 -178.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -85.05 158.01 20.57 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 122.326 -0.233 . . . . 0.0 110.424 179.672 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.456 ' HA ' ' CE2' ' A' ' 142' ' ' PHE . . . -48.63 -39.19 23.21 Favored 'General case' 0 C--N 1.334 -0.092 0 CA-C-N 116.66 -0.245 . . . . 0.0 111.515 -178.68 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.3 -28.72 64.32 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 179.055 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -79.4 -48.03 14.7 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 178.849 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' PHE . . . . . 0.469 ' CE2' HD11 ' A' ' 128' ' ' LEU . 2.1 t80 -57.16 -53.4 58.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.925 179.628 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -50.2 -45.0 53.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.049 -179.684 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -54.77 -32.08 59.55 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.82 -179.573 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' TRP . . . . . 0.673 ' CH2' HD13 ' A' ' 174' ' ' LEU . 13.6 t90 -83.39 -42.26 17.22 Favored 'General case' 0 N--CA 1.463 0.207 0 N-CA-C 111.763 0.282 . . . . 0.0 111.763 -178.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.469 HD11 ' CE2' ' A' ' 124' ' ' PHE . 0.3 OUTLIER -59.34 -45.02 92.54 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.96 0.41 . . . . 0.0 110.696 -179.889 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 129' ' ' THR . . . . . 0.494 HG23 ' O ' ' A' ' 133' ' ' MET . 0.3 OUTLIER -71.93 -21.36 61.63 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.146 179.134 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 130' ' ' ALA . . . . . 0.465 ' HB3' ' O ' ' A' ' 127' ' ' TRP . . . -65.32 -37.98 88.76 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.936 179.472 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.453 HD22 ' H ' ' A' ' 176' ' ' GLY . 0.4 OUTLIER -89.32 -0.16 57.26 Favored 'General case' 0 C--N 1.332 -0.156 0 N-CA-C 112.639 0.607 . . . . 0.0 112.639 -178.499 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 109.0 29.56 4.01 Favored Glycine 0 CA--C 1.519 0.291 0 C-N-CA 119.954 -1.117 . . . . 0.0 113.976 179.013 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 133' ' ' MET . . . . . 0.494 ' O ' HG23 ' A' ' 129' ' ' THR . 28.0 mmt -103.67 153.11 21.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 117.139 0.469 . . . . 0.0 110.153 178.866 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 6.8 p -81.02 163.69 23.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.585 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.82 -21.92 65.19 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.855 -0.338 . . . . 0.0 111.096 -179.545 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -79.81 -26.41 40.52 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.003 179.277 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.39 -38.78 68.38 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.693 -179.34 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -62.38 -59.71 4.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.0 0.429 . . . . 0.0 110.984 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -44.72 -43.64 8.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.338 179.728 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -69.84 -48.32 59.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.403 -179.429 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 141' ' ' ALA . . . . . 0.704 ' O ' HG23 ' A' ' 145' ' ' VAL . . . -63.04 -40.0 96.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.73 -179.238 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 142' ' ' PHE . . . . . 0.456 ' CE2' ' HA ' ' A' ' 121' ' ' ALA . 24.2 t80 -52.32 -59.62 4.19 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.229 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -56.27 -34.57 66.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.877 -179.619 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 2.1 mm100 -66.09 -35.52 80.73 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.895 -179.288 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 0.704 HG23 ' O ' ' A' ' 141' ' ' ALA . 12.4 t -83.55 -33.45 9.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 112.671 0.619 . . . . 0.0 112.671 -177.692 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.41 78.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.094 0.473 . . . . 0.0 110.914 -179.406 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 147' ' ' THR . . . . . 0.475 ' N ' ' O ' ' A' ' 145' ' ' VAL . 0.2 OUTLIER -56.38 -32.86 65.17 Favored 'General case' 0 CA--C 1.521 -0.172 0 CA-C-N 115.721 -0.672 . . . . 0.0 112.405 -179.82 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 14.8 p30 -98.66 8.57 44.77 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 111.904 0.335 . . . . 0.0 111.904 -178.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 41.45 37.89 1.9 Allowed Glycine 0 C--N 1.335 0.487 0 C-N-CA 121.107 -0.568 . . . . 0.0 113.123 179.782 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 33.5 p-10 -94.65 -5.89 44.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.583 0.23 . . . . 0.0 111.552 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 85.51 9.08 79.6 Favored Glycine 0 C--N 1.335 0.518 0 C-N-CA 120.674 -0.774 . . . . 0.0 113.778 178.734 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -134.71 135.68 42.16 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 117.373 0.587 . . . . 0.0 111.153 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 0.7 HD21 ' HB ' ' A' ' 145' ' ' VAL . 31.4 mt -94.88 103.42 15.29 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.06 179.072 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 37.7 p -90.04 160.09 16.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.726 0.298 . . . . 0.0 111.125 -179.592 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 155' ' ' LEU . . . . . 0.47 ' CD2' ' HG2' ' A' ' 105' ' ' LYS . 0.4 OUTLIER -46.6 -44.02 17.84 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-O 121.048 0.451 . . . . 0.0 110.557 -179.922 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.79 -52.29 65.64 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.507 179.651 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -65.77 -26.33 67.66 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.228 -0.896 . . . . 0.0 112.501 -178.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 158' ' ' LEU . . . . . 0.78 HD11 HG13 ' A' ' 119' ' ' ILE . 43.2 mt -73.17 -69.99 0.39 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.187 179.626 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.553 HD12 ' N ' ' A' ' 160' ' ' THR . 3.9 pp -42.2 -45.98 4.27 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.843 -178.75 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 160' ' ' THR . . . . . 0.553 ' N ' HD12 ' A' ' 159' ' ' LEU . 4.1 m -54.31 -45.91 72.7 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.114 0.483 . . . . 0.0 110.011 179.418 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 161' ' ' ALA . . . . . 0.453 ' HB2' HG13 ' A' ' 145' ' ' VAL . . . -63.48 -29.37 70.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.659 179.795 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 162' ' ' VAL . . . . . 0.462 ' CG2' HD21 ' A' ' 174' ' ' LEU . 85.2 t -50.86 -61.9 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.259 -179.606 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 6.1 tpp180 -110.61 73.88 0.85 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.764 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -153.03 76.86 1.14 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.835 0.35 . . . . 0.0 111.709 -179.733 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 165' ' ' PHE . . . . . 0.464 ' CD1' ' N ' ' A' ' 165' ' ' PHE . 0.1 OUTLIER -103.05 -7.25 21.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.46 178.916 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER 55.67 -159.82 0.2 Allowed 'General case' 0 C--N 1.338 0.095 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.733 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 167' ' ' PHE . . . . . 0.51 ' CD1' ' N ' ' A' ' 167' ' ' PHE . 0.7 OUTLIER -76.72 -4.07 41.41 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.694 -0.23 . . . . 0.0 111.232 -179.875 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 168' ' ' GLY . . . . . 0.404 ' C ' ' CG ' ' A' ' 169' ' ' ARG . . . -129.38 -102.61 1.04 Allowed Glycine 0 C--N 1.333 0.385 0 C-N-CA 120.784 -0.722 . . . . 0.0 111.882 179.443 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 169' ' ' ARG . . . . . 0.404 ' CG ' ' C ' ' A' ' 168' ' ' GLY . 0.0 OUTLIER 165.01 138.92 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 120.782 0.325 . . . . 0.0 111.102 179.633 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -109.61 -31.4 7.5 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.984 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 171' ' ' ASP . . . . . 0.457 ' O ' ' HB ' ' A' ' 172' ' ' VAL . 12.9 t70 -162.46 -84.73 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.639 -0.255 . . . . 0.0 110.733 179.784 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 172' ' ' VAL . . . . . 0.479 ' O ' HG13 ' A' ' 172' ' ' VAL . 3.3 p 165.0 80.52 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.232 0.139 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.63 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 49.62 -161.92 0.05 OUTLIER 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 120.795 0.331 . . . . 0.0 110.834 179.28 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 174' ' ' LEU . . . . . 0.673 HD13 ' CH2' ' A' ' 127' ' ' TRP . 0.4 OUTLIER -102.93 24.9 10.02 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.531 179.2 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 175' ' ' LEU . . . . . 0.607 HD23 HD12 ' A' ' 174' ' ' LEU . 0.8 OUTLIER -152.74 -165.9 2.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.775 -179.894 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 176' ' ' GLY . . . . . 0.453 ' H ' HD22 ' A' ' 131' ' ' LEU . . . . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.386 -1.23 . . . . 0.0 112.511 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 500' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 501' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 502' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 47.4 p . . . . . 0 N--CA 1.484 1.273 0 CA-C-O 120.867 0.365 . . . . 0.0 111.178 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 5.7 t -60.98 170.91 1.37 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.749 179.776 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -171.35 -78.87 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.931 179.675 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 38.3 mt -76.91 -27.12 16.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 121.157 0.503 . . . . 0.0 110.61 179.491 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.23 -47.93 82.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.831 -0.622 . . . . 0.0 112.117 -179.678 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.55 -52.65 64.27 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.916 0.389 . . . . 0.0 111.365 -179.377 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -48.69 -54.64 14.01 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.801 -0.636 . . . . 0.0 112.38 -179.12 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 4.0 mmt-85 -61.39 -45.49 94.14 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.227 0.454 . . . . 0.0 112.227 -178.216 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 18.5 mt -76.5 -28.8 56.57 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 111.97 0.359 . . . . 0.0 111.97 -179.227 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.95 -66.22 0.55 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.444 -179.181 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 8.6 mmtm -47.19 -45.3 22.96 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.835 0.35 . . . . 0.0 111.008 -179.505 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 71.9 mmt-85 -49.5 -29.43 6.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.621 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -73.3 -57.14 4.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.669 0.271 . . . . 0.0 111.474 -179.39 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -70.26 -21.36 62.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.218 -179.571 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 19.6 ttt180 -75.05 -15.28 60.64 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.727 0.298 . . . . 0.0 111.26 179.79 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.465 ' CZ2' ' O ' ' A' ' 176' ' ' GLY . 5.9 m95 -102.36 14.19 32.6 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.775 -179.515 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -80.68 75.14 7.59 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.043 0.449 . . . . 0.0 111.161 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -53.76 -49.13 68.89 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.469 -179.408 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 27.8 p-10 -97.31 -13.3 22.01 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 111.769 0.285 . . . . 0.0 111.769 -179.355 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.16 43.54 20.85 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.377 -0.916 . . . . 0.0 111.592 -179.162 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 20.1 p-10 -93.19 -11.56 32.42 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 111.618 0.229 . . . . 0.0 111.618 -179.359 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 82.32 21.15 61.02 Favored Glycine 0 C--N 1.331 0.262 0 C-N-CA 120.568 -0.825 . . . . 0.0 112.653 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -155.4 176.58 12.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.692 0.282 . . . . 0.0 110.481 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.9 mt -115.85 123.59 48.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.973 0.416 . . . . 0.0 111.042 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -120.45 172.03 8.12 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.43 179.618 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 9.6 ttt-85 -71.05 -31.36 67.77 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.731 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.52 -20.47 65.65 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.573 -0.739 . . . . 0.0 111.512 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.39 -32.88 72.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.859 0.362 . . . . 0.0 110.543 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.417 ' HB3' ' HB3' ' A' ' 56' ' ' PHE . 99.6 m-85 -76.84 -37.43 55.65 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.422 -179.533 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -64.41 -41.07 96.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.68 -179.767 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.6 mttm -67.09 -43.7 81.87 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.03 0.443 . . . . 0.0 110.382 179.714 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.436 ' O ' HG12 ' A' ' 36' ' ' ILE . 22.8 tt0 -49.94 -63.11 1.21 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.386 179.662 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.434 ' HB3' ' HG3' ' A' ' 53' ' ' LYS . . . -46.05 -47.53 16.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.393 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -62.3 -51.77 66.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.304 -0.407 . . . . 0.0 109.956 179.615 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -56.28 -24.41 42.79 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.206 179.112 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.436 HG12 ' O ' ' A' ' 32' ' ' GLU . 7.0 mm -79.69 -51.7 16.01 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.091 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.808 179.457 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -45.69 -47.47 15.15 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.37 -179.679 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -60.06 -34.62 73.67 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.927 -0.309 . . . . 0.0 110.319 179.164 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.425 ' HB3' ' O ' ' A' ' 36' ' ' ILE . . . -60.23 -33.67 72.6 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 178.557 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.414 ' O ' ' HD3' ' A' ' 42' ' ' LYS . 1.1 m-85 -92.78 1.18 57.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.901 179.129 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 72.58 -147.64 40.69 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.938 -0.649 . . . . 0.0 112.434 -179.498 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.414 ' HD3' ' O ' ' A' ' 40' ' ' PHE . 0.0 OUTLIER 68.07 -103.19 0.06 Allowed 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 179.44 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -168.99 131.79 1.3 Allowed 'General case' 0 N--CA 1.457 -0.099 0 C-N-CA 120.48 -0.488 . . . . 0.0 112.146 -178.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.618 ' O ' HG11 ' A' ' 49' ' ' VAL . . . -68.21 -11.54 59.45 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.557 179.644 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -99.32 17.39 57.92 Favored Glycine 0 C--N 1.333 0.397 0 C-N-CA 120.575 -0.821 . . . . 0.0 112.937 -179.466 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.65 -166.05 0.13 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.026 0.441 . . . . 0.0 111.296 179.549 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -94.6 -45.3 7.45 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.142 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -63.89 -21.81 66.63 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.486 -179.62 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.618 HG11 ' O ' ' A' ' 44' ' ' ALA . 8.7 p -76.23 -48.1 28.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 179.502 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.492 ' N ' HG13 ' A' ' 49' ' ' VAL . 12.7 tt0 -61.0 -41.07 95.82 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 178.551 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 25.4 m -59.55 -55.06 39.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.448 179.412 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.423 HD11 ' CE2' ' A' ' 56' ' ' PHE . 37.1 tp -52.28 -58.24 7.25 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.836 -0.345 . . . . 0.0 110.27 -179.743 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.434 ' HG3' ' HB3' ' A' ' 33' ' ' ALA . 7.5 mtpt -51.35 -39.34 56.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.46 -0.337 . . . . 0.0 110.813 179.531 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -59.04 -41.08 86.99 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 179.595 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.97 -46.23 68.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.452 179.064 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.423 ' CE2' HD11 ' A' ' 52' ' ' LEU . 2.6 m-85 -53.69 -33.28 54.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.823 179.564 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -63.0 -50.17 65.83 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.634 -0.793 . . . . 0.0 112.454 -179.692 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.422 ' O ' ' HB2' ' A' ' 61' ' ' ASP . . . -59.09 -29.92 66.18 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.539 -0.838 . . . . 0.0 112.688 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.58 -35.49 68.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 122.497 -0.414 . . . . 0.0 110.756 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.883 ' HA ' HD12 ' A' ' 63' ' ' LEU . 33.2 t80 -63.97 -42.94 97.11 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.729 179.514 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.422 ' HB2' ' O ' ' A' ' 58' ' ' GLY . 16.4 m-20 -42.25 -55.21 3.4 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.741 -179.766 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 18.3 t80 -55.64 -36.09 66.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.812 -179.659 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.883 HD12 ' HA ' ' A' ' 60' ' ' PHE . 18.0 mt -66.44 -55.79 14.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.807 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.676 ' HB1' ' O ' ' A' ' 69' ' ' VAL . . . -55.37 -50.36 69.9 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.839 179.472 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 9.8 ttpt -62.11 -51.51 67.62 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.911 0.386 . . . . 0.0 111.098 -179.412 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 23.5 tp10 -61.7 -41.11 97.16 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.825 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -76.12 -27.08 56.94 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.34 -179.507 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 100.59 11.23 41.75 Favored Glycine 0 CA--C 1.519 0.281 0 C-N-CA 120.888 -0.672 . . . . 0.0 113.498 179.161 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.676 ' O ' ' HB1' ' A' ' 64' ' ' ALA . 15.9 m -110.72 172.31 2.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.553 0.176 . . . . 0.0 110.554 179.451 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -84.59 176.18 51.04 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.886 -0.673 . . . . 0.0 113.982 -178.688 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.3 m -63.85 -15.13 58.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.396 -0.402 . . . . 0.0 111.005 178.348 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -109.57 15.15 23.11 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.34 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -95.35 -165.01 34.89 Favored Glycine 0 CA--C 1.52 0.378 0 C-N-CA 120.43 -0.891 . . . . 0.0 113.07 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.5 m -143.81 155.93 44.31 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.897 0.379 . . . . 0.0 111.598 -179.25 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.3 mp -119.34 141.66 48.83 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.64 179.376 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 33.2 p -85.98 -172.11 3.92 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 120.9 0.381 . . . . 0.0 111.609 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -77.89 -49.61 13.88 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.991 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -57.07 -32.19 66.0 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.379 179.603 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -72.06 -42.8 65.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.929 0.395 . . . . 0.0 110.114 179.223 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.404 ' CD1' ' OG1' ' A' ' 84' ' ' THR . 32.8 t80 -52.1 -56.47 14.22 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.736 179.252 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 10.9 mt -53.6 -50.49 49.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.763 -179.641 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 2.1 tpt180 -58.27 -55.22 37.84 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 111.645 0.239 . . . . 0.0 111.645 -179.598 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 21.3 t -70.35 -41.58 78.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -178.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.404 ' OG1' ' CD1' ' A' ' 80' ' ' PHE . 29.0 m -61.29 -42.91 99.45 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.321 -179.754 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -53.87 -47.5 70.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.055 0.455 . . . . 0.0 111.268 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 35.1 m-20 -58.72 -40.03 82.54 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.892 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.81 -39.88 82.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.61 179.736 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 28.7 mm -75.56 -50.82 22.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.364 179.761 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 99.4 m-85 -88.01 -71.8 0.56 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.974 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.23 -161.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.59 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 78.2 mm-40 63.05 158.57 0.07 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.805 0.336 . . . . 0.0 110.882 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -89.36 157.42 26.79 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.702 -0.761 . . . . 0.0 113.185 -179.599 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -54.07 -54.24 42.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.983 0.42 . . . . 0.0 110.639 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.25 -10.57 24.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.842 -0.617 . . . . 0.0 112.365 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.38 -41.27 61.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.798 0.332 . . . . 0.0 110.796 -179.698 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.492 ' HE1' HD13 ' A' ' 100' ' ' LEU . 0.1 OUTLIER -68.1 -43.44 78.47 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.391 179.627 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 27.3 t30 -69.48 -34.4 74.29 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.864 179.657 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 5.5 mtt180 -63.17 -58.0 8.68 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.629 -179.485 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 39.2 t -80.68 -35.48 14.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 112.767 0.655 . . . . 0.0 112.767 -178.228 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.492 HD13 ' HE1' ' A' ' 96' ' ' PHE . 0.5 OUTLIER -88.34 -26.39 22.25 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 119.613 -0.835 . . . . 0.0 111.806 -178.087 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -41.0 -57.02 3.05 Favored Glycine 0 CA--C 1.522 0.471 0 C-N-CA 121.152 -0.547 . . . . 0.0 113.195 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_exo -66.35 -11.1 30.04 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.716 2.277 . . . . 0.0 112.265 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.476 ' CG2' ' HA ' ' A' ' 100' ' ' LEU . 20.8 t -79.87 -53.62 12.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.424 -179.405 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.817 ' O ' HG23 ' A' ' 108' ' ' VAL . 98.5 t -68.77 -30.34 46.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.9 0.381 . . . . 0.0 111.105 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -55.25 -53.64 53.47 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.391 179.529 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -48.85 -41.61 28.27 Favored Glycine 0 CA--C 1.519 0.331 0 C-N-CA 120.85 -0.69 . . . . 0.0 112.541 179.53 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.597 HD13 ' CZ2' ' A' ' 127' ' ' TRP . 64.0 mt -71.66 -39.85 69.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.757 0.313 . . . . 0.0 111.046 -179.805 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.817 HG23 ' O ' ' A' ' 104' ' ' VAL . 36.6 t -63.14 -37.21 78.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.734 179.476 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -66.67 -31.91 79.86 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.37 179.719 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 75.6 mtp -79.78 -29.71 40.45 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.589 0.233 . . . . 0.0 110.649 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -86.56 -37.6 18.0 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.974 0.731 . . . . 0.0 112.974 -177.179 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' ASP . . . . . 0.407 ' O ' ' HB2' ' A' ' 113' ' ' LYS . 65.6 m-20 -64.14 -72.16 0.15 Allowed 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.1 -0.64 . . . . 0.0 110.131 -179.348 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.407 ' HB2' ' O ' ' A' ' 112' ' ' ASP . 0.1 OUTLIER 81.85 -4.14 1.54 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.201 -178.638 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 114' ' ' ASN . . . . . 0.585 ' O ' ' HB3' ' A' ' 115' ' ' ALA . 1.9 p30 -106.34 -23.64 12.48 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 178.552 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.585 ' HB3' ' O ' ' A' ' 114' ' ' ASN . . . 82.2 55.08 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.128 0 N-CA-C 112.785 0.661 . . . . 0.0 112.785 178.819 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 37.7 p-10 -113.98 -18.2 11.79 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 121.151 -0.219 . . . . 0.0 110.862 179.279 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 79.33 11.91 84.44 Favored Glycine 0 CA--C 1.52 0.344 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.77 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 5.4 mm-40 -125.73 160.99 28.33 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.866 0.365 . . . . 0.0 111.643 -179.498 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.617 ' CD1' HG13 ' A' ' 108' ' ' VAL . 37.0 mm -109.44 103.24 15.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.875 -179.35 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -84.34 161.86 20.25 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 179.065 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -50.62 -37.52 40.74 Favored 'General case' 0 N--CA 1.464 0.241 0 C-N-CA 120.912 -0.315 . . . . 0.0 111.63 -178.507 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.88 -28.78 65.93 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 178.649 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -79.88 -48.98 12.6 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.159 178.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -55.27 -52.16 64.31 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.233 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.496 ' HA ' ' HB1' ' A' ' 138' ' ' ALA . . . -54.78 -41.3 70.35 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.107 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -55.54 -34.17 64.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.751 -179.67 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' TRP . . . . . 0.597 ' CZ2' HD13 ' A' ' 107' ' ' ILE . 14.3 t90 -84.2 -46.58 11.73 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 -178.212 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.57 HD12 ' HA ' ' A' ' 138' ' ' ALA . 22.5 mt -58.49 -40.42 82.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.946 0.403 . . . . 0.0 110.554 -179.508 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 129' ' ' THR . . . . . 0.447 HG23 ' O ' ' A' ' 125' ' ' ALA . 68.3 p -72.65 -28.49 62.76 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.36 179.388 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.57 -34.34 74.02 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.999 -179.698 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 51.5 mt -85.94 7.17 25.33 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 111.85 0.315 . . . . 0.0 111.85 -179.453 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 99.19 28.01 7.89 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.378 -0.915 . . . . 0.0 113.959 178.79 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 133' ' ' MET . . . . . 0.454 ' CE ' HG11 ' A' ' 172' ' ' VAL . 17.3 mmt -98.57 156.81 16.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 117.292 0.546 . . . . 0.0 110.152 179.026 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 29.4 t -81.2 163.28 23.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.892 0.377 . . . . 0.0 111.203 -179.491 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.07 -27.94 69.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.908 -179.231 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -79.86 -22.99 42.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.523 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 137' ' ' GLU . . . . . 0.422 ' O ' ' HG2' ' A' ' 140' ' ' GLU . 0.0 OUTLIER -72.1 -41.73 66.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.754 -179.103 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 138' ' ' ALA . . . . . 0.57 ' HA ' HD12 ' A' ' 128' ' ' LEU . . . -64.42 -51.84 61.17 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.529 -179.448 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -50.09 -44.46 51.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.727 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 140' ' ' GLU . . . . . 0.422 ' HG2' ' O ' ' A' ' 137' ' ' GLU . 11.8 pt-20 -71.67 -41.96 68.08 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.872 0.368 . . . . 0.0 111.141 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 141' ' ' ALA . . . . . 0.489 ' O ' HG23 ' A' ' 145' ' ' VAL . . . -64.94 -39.79 94.03 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.704 -179.531 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -51.93 -59.33 4.45 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.27 179.193 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 68.3 m-20 -56.46 -35.39 67.86 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.912 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -63.86 -36.93 85.53 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 -179.179 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 0.503 HG22 HD13 ' A' ' 170' ' ' LEU . 15.6 t -83.91 -32.8 8.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 112.751 0.649 . . . . 0.0 112.751 -178.302 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.09 77.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.152 0.501 . . . . 0.0 111.634 -178.611 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 147' ' ' THR . . . . . 0.468 ' N ' ' O ' ' A' ' 145' ' ' VAL . 1.3 m -58.03 -33.71 69.28 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.556 -0.747 . . . . 0.0 112.495 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 53.6 p30 -97.54 5.95 48.81 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 -178.692 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 41.1 34.31 0.86 Allowed Glycine 0 C--N 1.335 0.478 0 C-N-CA 121.026 -0.607 . . . . 0.0 113.312 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 6.4 p-10 -90.1 -6.95 54.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.605 0.241 . . . . 0.0 111.571 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 88.82 4.07 76.09 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.53 -0.843 . . . . 0.0 113.35 179.449 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -135.95 137.28 41.14 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-N 117.601 0.7 . . . . 0.0 111.211 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 0.448 ' HA ' HD23 ' A' ' 153' ' ' LEU . 12.1 mt -101.24 102.46 13.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.96 179.573 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -89.27 166.81 13.54 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-O 121.015 0.436 . . . . 0.0 111.761 -179.721 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 5.0 tt -47.31 -45.63 24.47 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.733 -179.645 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -57.86 -52.15 66.67 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.395 0.617 . . . . 0.0 110.687 179.51 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 157' ' ' GLU . . . . . 0.92 ' O ' HG22 ' A' ' 160' ' ' THR . 30.8 mt-10 -64.4 -21.52 66.67 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.95 -1.023 . . . . 0.0 112.893 -178.286 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 158' ' ' LEU . . . . . 0.463 HD11 HG13 ' A' ' 119' ' ' ILE . 0.4 OUTLIER -71.91 -30.26 65.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.976 0.417 . . . . 0.0 110.312 179.261 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.892 ' O ' HG12 ' A' ' 162' ' ' VAL . 0.5 OUTLIER -75.26 -39.02 60.2 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.063 -179.885 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 160' ' ' THR . . . . . 0.92 HG22 ' O ' ' A' ' 157' ' ' GLU . 11.1 t -53.37 -21.02 5.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.193 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -62.37 -60.03 4.15 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.05 0.453 . . . . 0.0 110.33 178.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 162' ' ' VAL . . . . . 0.892 HG12 ' O ' ' A' ' 159' ' ' LEU . 12.1 p -50.94 -25.31 3.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.672 179.796 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -46.16 92.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.515 -179.117 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 164' ' ' ASP . . . . . 0.427 ' N ' ' O ' ' A' ' 162' ' ' VAL . 3.3 m-20 49.66 70.99 0.43 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.477 179.805 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 165' ' ' PHE . . . . . 0.474 ' CG ' ' HG2' ' A' ' 173' ' ' GLU . 44.9 p90 -88.74 -3.57 58.74 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.543 179.48 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 166' ' ' HIS . . . . . 0.47 ' O ' ' CD1' ' A' ' 167' ' ' PHE . 1.7 p-80 -100.7 47.95 0.91 Allowed 'General case' 0 C--O 1.231 0.093 0 CA-C-O 120.712 0.291 . . . . 0.0 111.339 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 167' ' ' PHE . . . . . 0.47 ' CD1' ' O ' ' A' ' 166' ' ' HIS . 13.1 m-85 -159.06 -45.5 0.06 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.014 0.435 . . . . 0.0 110.792 179.574 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . 165.49 57.59 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 121.114 -0.565 . . . . 0.0 111.837 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 169' ' ' ARG . . . . . 0.413 ' HB2' ' O ' ' A' ' 164' ' ' ASP . 0.0 OUTLIER -108.81 -58.65 1.99 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.819 0.342 . . . . 0.0 111.307 -179.303 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 170' ' ' LEU . . . . . 0.503 HD13 HG22 ' A' ' 145' ' ' VAL . 0.4 OUTLIER -158.99 159.37 34.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.953 0.406 . . . . 0.0 110.324 179.871 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 171' ' ' ASP . . . . . 0.404 ' O ' ' HB ' ' A' ' 172' ' ' VAL . 3.9 m-20 -50.24 -30.06 10.88 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.179 -179.431 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 172' ' ' VAL . . . . . 0.525 ' O ' HG13 ' A' ' 172' ' ' VAL . 4.0 p 173.86 93.75 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.06 179.456 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 173' ' ' GLU . . . . . 0.474 ' HG2' ' CG ' ' A' ' 165' ' ' PHE . 0.0 OUTLIER -30.61 -72.72 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.525 0 O-C-N 123.595 0.56 . . . . 0.0 112.387 179.898 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -172.69 35.22 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.887 0.375 . . . . 0.0 110.508 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 175' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -127.13 71.65 1.33 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.396 179.768 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 176' ' ' GLY . . . . . 0.465 ' O ' ' CZ2' ' A' ' 16' ' ' TRP . . . . . . . . 0 C--O 1.25 1.103 0 CA-C-O 118.248 -1.307 . . . . 0.0 112.365 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 500' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 501' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 502' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 68.0 p . . . . . 0 N--CA 1.485 1.324 0 CA-C-O 120.898 0.38 . . . . 0.0 111.098 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -69.54 152.14 45.17 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.024 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -71.11 -3.1 18.07 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.989 179.807 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 37.1 mm -79.34 -33.2 15.32 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.135 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.69 -36.95 77.51 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.854 -179.309 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.8 m -61.72 -49.33 76.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.855 0.359 . . . . 0.0 110.882 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.19 -51.31 66.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.609 -179.371 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.31 -41.4 98.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.385 -178.756 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.922 HD13 HG23 ' A' ' 81' ' ' ILE . 18.2 mt -76.84 -34.44 57.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.585 0.231 . . . . 0.0 111.515 -179.18 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.1 tmtt? -61.43 -56.74 16.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.52 179.782 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.448 ' O ' ' N ' ' A' ' 15' ' ' ARG . 6.1 mmtp -56.91 -46.75 81.76 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.564 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -47.91 -36.8 12.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.683 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -73.72 -55.38 6.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.922 0.391 . . . . 0.0 110.817 -179.729 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -68.89 -18.74 64.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.214 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -69.55 -18.08 63.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.79 -0.187 . . . . 0.0 111.162 -179.315 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 6.0 m0 -102.38 -94.63 0.3 Allowed 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 121.196 -0.202 . . . . 0.0 111.09 179.725 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 41.68 73.0 0.14 Allowed 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 121.102 0.477 . . . . 0.0 110.951 -179.445 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -53.49 -48.11 69.23 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.603 -178.55 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -97.76 -13.79 21.19 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -178.804 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 78.75 42.38 13.39 Favored Glycine 0 CA--C 1.52 0.369 0 C-N-CA 120.468 -0.872 . . . . 0.0 113.388 179.522 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 44.0 p-10 -93.89 -13.73 26.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 117.096 0.448 . . . . 0.0 111.703 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 87.86 21.31 47.19 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.42 -0.895 . . . . 0.0 112.218 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -155.44 169.96 23.03 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.721 0.296 . . . . 0.0 110.798 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -111.11 121.58 45.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.76 179.553 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -120.66 174.36 6.62 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.108 0.48 . . . . 0.0 110.454 179.66 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.41 ' NH2' ' OG ' ' A' ' 71' ' ' SER . 6.8 ttm180 -67.82 -37.97 82.62 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.198 -179.722 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.0 -20.21 62.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.172 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -68.68 -31.76 71.09 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.191 179.681 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -77.08 -37.96 53.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.993 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -63.78 -41.5 97.95 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 20.8 mmtt -67.13 -45.45 77.07 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.757 178.776 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.433 ' O ' HG12 ' A' ' 36' ' ' ILE . 2.1 tt0 -52.11 -52.88 48.67 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.236 179.68 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -51.28 -51.54 53.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.137 0.494 . . . . 0.0 110.609 179.503 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 8.3 tp60 -60.65 -49.86 75.82 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.657 -0.702 . . . . 0.0 110.851 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -51.52 -23.97 4.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.768 -179.549 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.434 ' CD1' HD21 ' A' ' 131' ' ' LEU . 8.6 mm -85.01 -52.79 11.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.432 179.688 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -44.65 -43.92 8.64 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 120.84 0.352 . . . . 0.0 111.605 -179.299 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.77 -40.02 90.97 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.179 179.683 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -58.96 -29.81 67.44 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.092 -179.738 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -87.67 3.2 48.75 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.78 179.535 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 46.58 76.3 0.14 Allowed Glycine 0 C--N 1.339 0.716 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.468 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.01 -151.69 0.4 Allowed 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 110.321 -0.251 . . . . 0.0 110.321 -179.514 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -66.43 -172.98 0.18 Allowed 'General case' 0 CA--C 1.528 0.12 0 CA-C-O 120.785 0.326 . . . . 0.0 111.402 -178.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.854 ' O ' HG11 ' A' ' 49' ' ' VAL . . . -138.67 -60.56 0.59 Allowed 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 178.346 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -95.17 24.87 26.84 Favored Glycine 0 CA--C 1.521 0.422 0 CA-C-N 115.168 -0.924 . . . . 0.0 112.411 179.639 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.52 -167.25 0.24 Allowed 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 117.147 0.474 . . . . 0.0 111.82 179.552 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -85.23 -52.56 5.82 Favored 'General case' 0 C--O 1.23 0.076 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.887 179.483 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.494 ' HB3' ' HG2' ' A' ' 110' ' ' MET . 32.6 mm-40 -52.89 -36.27 59.04 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.143 -178.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.854 HG11 ' O ' ' A' ' 44' ' ' ALA . 7.6 p -77.36 -40.69 29.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.279 -0.418 . . . . 0.0 109.901 179.399 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.8 tt0 -59.79 -42.49 93.51 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 178.859 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 3.2 m -57.9 -56.03 27.27 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.41 178.707 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 13.7 tp -50.85 -60.82 2.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.957 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.1 -37.83 35.73 Favored 'General case' 0 N--CA 1.462 0.159 0 C-N-CA 121.058 -0.257 . . . . 0.0 110.569 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -59.83 -41.98 92.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.784 0.326 . . . . 0.0 110.268 179.232 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.51 -45.64 78.9 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.759 179.497 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -57.74 -31.55 66.57 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.977 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -63.61 -50.63 60.36 Favored Glycine 0 C--N 1.331 0.299 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.559 179.544 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -61.79 -29.41 72.14 Favored Glycine 0 C--N 1.333 0.363 0 C-N-CA 120.564 -0.827 . . . . 0.0 111.993 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.555 HD13 HG21 ' A' ' 103' ' ' VAL . 41.0 tp -56.0 -42.62 76.67 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.601 0.239 . . . . 0.0 111.036 -179.789 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.47 ' CE1' ' HB2' ' A' ' 64' ' ' ALA . 32.8 t80 -61.19 -38.79 87.82 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.614 -0.266 . . . . 0.0 111.042 179.833 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -44.67 -45.63 9.82 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 121.034 0.445 . . . . 0.0 111.025 179.759 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.722 ' CD1' HG21 ' A' ' 99' ' ' VAL . 7.9 t80 -59.14 -39.35 82.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.944 179.74 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 93.8 mt -66.52 -56.95 8.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.81 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.47 ' HB2' ' CE1' ' A' ' 60' ' ' PHE . . . -53.74 -47.2 70.86 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.308 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.4 ttmt -65.22 -54.2 33.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.44 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -60.86 -41.54 96.1 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 120.822 0.344 . . . . 0.0 110.878 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -77.8 -22.9 49.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.738 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 71.52 51.48 16.34 Favored Glycine 0 CA--C 1.519 0.307 0 C-N-CA 121.057 -0.592 . . . . 0.0 114.082 178.817 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.596 HG13 ' H ' ' A' ' 70' ' ' GLY . 0.4 OUTLIER -123.69 -79.79 0.25 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 CA-C-N 116.777 0.288 . . . . 0.0 111.038 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.596 ' H ' HG13 ' A' ' 69' ' ' VAL . . . 168.01 157.77 11.43 Favored Glycine 0 CA--C 1.52 0.354 0 C-N-CA 121.071 -0.585 . . . . 0.0 112.104 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.41 ' OG ' ' NH2' ' A' ' 26' ' ' ARG . 37.2 t -63.36 -19.11 64.36 Favored 'General case' 0 C--N 1.33 -0.257 0 O-C-N 122.664 -0.315 . . . . 0.0 111.585 179.29 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 23.6 p30 -114.41 12.51 17.5 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.694 -179.08 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -94.18 -164.18 36.15 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.388 -0.91 . . . . 0.0 112.914 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 85.0 p -142.05 154.7 45.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.82 0.343 . . . . 0.0 111.428 -179.096 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -116.47 144.49 44.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.672 179.446 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 12.4 p -87.05 177.22 7.28 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.009 0.433 . . . . 0.0 111.433 -179.525 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -65.94 -50.48 64.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.138 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -58.93 -26.42 64.36 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.882 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 23.8 mm-40 -71.26 -46.02 61.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.779 0.323 . . . . 0.0 111.122 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.407 ' O ' ' CB ' ' A' ' 84' ' ' THR . 68.4 t80 -52.79 -49.42 65.64 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.063 0.459 . . . . 0.0 110.923 179.713 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.922 HG23 HD13 ' A' ' 9' ' ' LEU . 50.8 mt -55.58 -56.17 13.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.532 -179.714 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -55.58 -52.79 62.56 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.74 -179.276 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 15.6 t -71.75 -36.37 58.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 -178.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.407 ' CB ' ' O ' ' A' ' 80' ' ' PHE . 26.0 m -63.43 -43.91 96.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.06 0.457 . . . . 0.0 110.024 179.607 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -50.43 -53.05 32.38 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.471 179.717 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -59.55 -38.7 81.79 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.36 -179.589 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.7 mt -58.06 -48.56 79.74 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.814 0.34 . . . . 0.0 111.008 179.78 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 6.3 mt -74.51 -37.07 43.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.228 -179.693 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -88.75 -81.63 0.26 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.862 0.363 . . . . 0.0 110.409 179.37 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.406 ' O ' ' HB2' ' A' ' 91' ' ' GLN . 0.4 OUTLIER -62.01 -162.35 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.831 179.819 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.406 ' HB2' ' O ' ' A' ' 90' ' ' GLU . 72.4 mm-40 73.31 134.94 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.059 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -78.2 158.27 45.73 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.462 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -53.01 -51.26 62.22 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.922 0.392 . . . . 0.0 111.08 -179.723 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.76 -13.26 30.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.946 -0.57 . . . . 0.0 112.232 -179.723 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 53.0 m -77.04 -48.59 17.46 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.935 0.398 . . . . 0.0 111.177 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.513 ' HE1' HD22 ' A' ' 100' ' ' LEU . 0.7 OUTLIER -66.81 -43.07 84.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.921 -179.734 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.415 ' O ' ' N ' ' A' ' 101' ' ' GLY . 6.5 m-20 -68.74 -34.39 75.53 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.702 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 1.7 ttp180 -62.14 -66.58 0.52 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.742 0.306 . . . . 0.0 111.507 -178.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.722 HG21 ' CD1' ' A' ' 62' ' ' TYR . 67.8 t -69.68 -35.12 64.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 112.47 0.544 . . . . 0.0 112.47 -178.236 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.513 HD22 ' HE1' ' A' ' 96' ' ' PHE . 0.6 OUTLIER -89.22 -26.07 21.41 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 119.587 -0.845 . . . . 0.0 111.901 -178.532 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 97' ' ' ASN . . . -38.6 -63.46 1.0 Allowed Glycine 0 CA--C 1.523 0.557 0 C-N-CA 121.227 -0.511 . . . . 0.0 113.142 179.682 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo -63.84 -9.34 18.5 Favored 'Trans proline' 0 CA--C 1.532 0.416 0 C-N-CA 122.684 2.256 . . . . 0.0 112.83 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.555 HG21 HD13 ' A' ' 59' ' ' LEU . 41.2 t -80.08 -54.9 10.02 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 CA-C-O 120.662 0.268 . . . . 0.0 111.022 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.879 ' O ' HG23 ' A' ' 108' ' ' VAL . 97.2 t -66.85 -31.66 54.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 121.061 0.457 . . . . 0.0 110.81 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 7.1 mttt -58.82 -47.03 86.22 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.025 178.766 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -51.87 -40.84 50.58 Favored Glycine 0 C--N 1.334 0.453 0 CA-C-N 115.86 -0.609 . . . . 0.0 112.696 179.726 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 78.1 mt -71.87 -39.47 67.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.992 0.425 . . . . 0.0 110.385 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.879 HG23 ' O ' ' A' ' 104' ' ' VAL . 13.9 t -64.45 -36.54 77.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.298 179.49 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -63.32 -37.95 95.66 Favored Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.885 -0.674 . . . . 0.0 112.94 -179.496 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' MET . . . . . 0.494 ' HG2' ' HB3' ' A' ' 48' ' ' GLU . 92.0 mtp -79.36 -24.73 42.48 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.712 0.291 . . . . 0.0 110.578 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 78.9 m -98.5 -17.81 18.54 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 113.293 0.849 . . . . 0.0 113.293 -177.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -67.51 103.74 1.4 Allowed 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.291 -0.564 . . . . 0.0 111.408 -178.57 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 23.0 mmtp -87.49 -17.93 31.0 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.057 179.208 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 40.3 p30 -110.69 1.48 17.95 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.768 -0.196 . . . . 0.0 111.342 179.239 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . 41.62 64.46 1.05 Allowed 'General case' 0 N--CA 1.462 0.172 0 N-CA-C 111.914 0.339 . . . . 0.0 111.914 179.719 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 56.7 p30 -121.81 -8.22 8.95 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 111.647 0.239 . . . . 0.0 111.647 179.24 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 83.19 4.98 89.44 Favored Glycine 0 C--N 1.334 0.447 0 C-N-CA 121.004 -0.617 . . . . 0.0 113.214 179.703 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -123.22 162.71 22.05 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.995 0.426 . . . . 0.0 110.926 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.561 HG13 HD11 ' A' ' 158' ' ' LEU . 49.3 mm -105.8 102.15 13.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.386 -179.62 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -84.12 162.35 20.31 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 179.617 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.417 ' HA ' ' CE2' ' A' ' 142' ' ' PHE . . . -53.38 -38.57 63.48 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 121.015 -0.274 . . . . 0.0 111.276 -179.146 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -70.21 -25.49 63.43 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.924 -0.398 . . . . 0.0 109.924 179.235 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -82.54 -46.87 12.83 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.978 -0.379 . . . . 0.0 109.978 178.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' PHE . . . . . 0.486 ' CD1' HG21 ' A' ' 119' ' ' ILE . 0.8 OUTLIER -56.9 -46.7 81.75 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.872 0.367 . . . . 0.0 111.073 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -59.23 -45.31 91.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.43 -179.596 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -55.31 -32.39 62.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.427 -179.487 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' TRP . . . . . 0.402 ' O ' ' HB3' ' A' ' 130' ' ' ALA . 17.0 t90 -87.85 -41.3 13.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.602 0.239 . . . . 0.0 111.564 -178.87 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.469 HD22 ' HA ' ' A' ' 138' ' ' ALA . 0.2 OUTLIER -56.64 -42.42 78.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.925 0.393 . . . . 0.0 110.217 179.852 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 12.4 p -70.13 -25.3 63.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.37 179.265 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' ALA . . . . . 0.402 ' HB3' ' O ' ' A' ' 127' ' ' TRP . . . -66.67 -38.3 86.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.596 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.434 HD21 ' CD1' ' A' ' 36' ' ' ILE . 12.7 mt -81.65 6.41 15.25 Favored 'General case' 0 N--CA 1.464 0.271 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 -177.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 99.77 22.81 11.61 Favored Glycine 0 CA--C 1.518 0.263 0 C-N-CA 120.391 -0.909 . . . . 0.0 113.231 179.051 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 133' ' ' MET . . . . . 0.406 ' HB2' ' O ' ' A' ' 128' ' ' LEU . 7.6 mmt -99.72 156.07 17.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.729 0.265 . . . . 0.0 110.721 179.504 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 1.1 m -82.21 169.17 16.89 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.138 0.494 . . . . 0.0 111.748 -179.515 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 1.8 mmtp -70.07 -18.57 63.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.858 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -89.16 -24.7 22.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.934 0.397 . . . . 0.0 110.953 179.54 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -69.25 -40.95 77.55 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.606 -179.028 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 138' ' ' ALA . . . . . 0.469 ' HA ' HD22 ' A' ' 128' ' ' LEU . . . -61.0 -61.05 2.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.817 0.341 . . . . 0.0 111.24 -179.566 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -44.96 -45.16 10.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.118 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.57 -49.28 55.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.86 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 141' ' ' ALA . . . . . 0.707 ' O ' HG23 ' A' ' 145' ' ' VAL . . . -62.07 -40.07 94.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.397 -179.444 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 142' ' ' PHE . . . . . 0.417 ' CE2' ' HA ' ' A' ' 121' ' ' ALA . 55.0 t80 -49.8 -58.92 4.4 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.979 179.347 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -55.91 -38.04 69.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.091 -0.504 . . . . 0.0 112.125 -179.334 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -63.41 -35.2 79.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.974 0.416 . . . . 0.0 111.224 -179.506 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 0.707 HG23 ' O ' ' A' ' 141' ' ' ALA . 13.2 t -83.72 -38.36 14.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.752 -0.658 . . . . 0.0 112.754 -178.12 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.92 78.31 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.037 0.446 . . . . 0.0 111.51 -179.007 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 147' ' ' THR . . . . . 0.451 ' N ' ' O ' ' A' ' 145' ' ' VAL . 1.9 m -56.84 -29.84 63.23 Favored 'General case' 0 N--CA 1.463 0.208 0 N-CA-C 112.959 0.726 . . . . 0.0 112.959 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -102.6 8.38 39.77 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -178.759 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 38.14 35.03 0.24 Allowed Glycine 0 C--N 1.339 0.71 0 C-N-CA 121.305 -0.474 . . . . 0.0 113.452 179.546 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 15.6 p-10 -91.53 -4.59 55.27 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 -179.275 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 92.08 -1.03 73.27 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.414 -0.898 . . . . 0.0 113.366 179.251 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -134.67 135.01 41.74 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 117.269 0.535 . . . . 0.0 110.525 179.633 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 0.469 ' HA ' HD23 ' A' ' 153' ' ' LEU . 8.3 mt -93.39 113.13 25.22 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.899 178.841 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.4 157.11 17.77 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.968 -179.223 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 155' ' ' LEU . . . . . 0.415 ' O ' ' HG ' ' A' ' 159' ' ' LEU . 46.1 mt -49.62 -42.91 46.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.404 179.594 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.58 -53.57 54.84 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.39 -179.7 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -63.13 -19.86 64.85 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.648 0.61 . . . . 0.0 112.648 -178.608 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 158' ' ' LEU . . . . . 0.856 ' O ' HG23 ' A' ' 162' ' ' VAL . 62.8 mt -75.05 -69.69 0.46 Allowed 'General case' 0 CA--C 1.53 0.187 0 CA-C-O 121.065 0.46 . . . . 0.0 110.973 179.088 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.555 ' CD2' HG21 ' A' ' 104' ' ' VAL . 0.7 OUTLIER -41.5 -49.35 3.98 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.648 -179.142 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -52.07 -64.4 0.83 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.889 0.376 . . . . 0.0 110.572 -179.677 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 161' ' ' ALA . . . . . 0.445 ' C ' HG12 ' A' ' 172' ' ' VAL . . . -59.04 -43.13 91.6 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.817 179.259 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 162' ' ' VAL . . . . . 0.856 HG23 ' O ' ' A' ' 158' ' ' LEU . 85.6 t -50.85 147.93 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.986 178.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 44.07 29.36 0.33 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.616 179.346 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 33.5 t0 -150.25 101.78 3.02 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.998 0.428 . . . . 0.0 110.79 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 165' ' ' PHE . . . . . 0.425 ' O ' ' CB ' ' A' ' 169' ' ' ARG . 3.2 p90 -101.91 -14.74 17.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.066 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 76.99 53.76 0.04 OUTLIER 'General case' 0 CA--C 1.522 -0.123 0 CA-C-O 120.892 0.377 . . . . 0.0 110.189 -179.513 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 167' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER 49.67 95.7 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.921 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . 63.35 83.88 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.49 -0.862 . . . . 0.0 112.384 -179.753 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 169' ' ' ARG . . . . . 0.425 ' CB ' ' O ' ' A' ' 165' ' ' PHE . 0.0 OUTLIER 174.01 -171.27 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.089 0.471 . . . . 0.0 111.628 -179.811 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 16.7 tp -148.51 119.16 7.48 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.002 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 171' ' ' ASP . . . . . 0.623 ' O ' HG22 ' A' ' 145' ' ' VAL . 34.4 t0 -111.14 -22.23 11.53 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.841 179.505 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 172' ' ' VAL . . . . . 0.463 ' O ' ' CG ' ' A' ' 173' ' ' GLU . 11.0 p -179.05 -37.88 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.972 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 173' ' ' GLU . . . . . 0.463 ' CG ' ' O ' ' A' ' 172' ' ' VAL . 4.4 pt-20 53.84 160.39 0.01 OUTLIER 'General case' 0 CA--C 1.521 -0.143 0 CA-C-N 115.104 -0.953 . . . . 0.0 111.035 -179.556 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 174' ' ' LEU . . . . . 0.405 ' HB2' HG13 ' A' ' 162' ' ' VAL . 0.6 OUTLIER -148.39 38.94 0.88 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 -179.624 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 175' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -120.76 -58.02 1.85 Allowed 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.562 179.511 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.418 -1.212 . . . . 0.0 112.703 179.61 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 500' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 501' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 502' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 36.9 mm . . . . . 0 N--CA 1.457 -0.101 0 CA-C-O 120.927 0.394 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.75 -35.98 82.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.972 -179.34 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.0 p -60.7 -49.7 76.45 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.804 0.335 . . . . 0.0 111.37 -179.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -56.2 -48.89 75.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.682 -179.366 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.25 -48.21 82.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.486 -178.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.8 mt -76.73 -29.09 56.05 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.699 0.285 . . . . 0.0 111.536 -179.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.9 tmtt? -61.04 -55.06 37.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.748 0.308 . . . . 0.0 111.137 -179.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 44.4 mttp -58.63 -45.39 89.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.927 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.97 -28.14 1.52 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.179 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.419 ' CD2' ' OE1' ' A' ' 77' ' ' GLU . 68.3 t80 -72.69 -58.72 3.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.243 179.699 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.95 -14.42 62.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.909 179.2 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 8.8 mtp180 -73.73 -25.35 60.15 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.684 -0.235 . . . . 0.0 111.127 -179.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 56.3 m95 -97.45 -98.29 0.2 Allowed 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.852 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 39.71 73.94 0.11 Allowed 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 120.991 0.424 . . . . 0.0 111.517 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.407 ' CE2' ' N ' ' A' ' 32' ' ' GLU . 0.3 OUTLIER -54.39 -50.97 66.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.344 -179.023 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 18.3 p-10 -97.88 -12.17 22.41 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 111.611 0.226 . . . . 0.0 111.611 -179.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 74.6 45.72 21.74 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.575 -0.822 . . . . 0.0 112.325 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 15.6 p-10 -92.15 -10.23 39.56 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.701 0.26 . . . . 0.0 111.701 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 84.91 20.13 58.31 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.488 -0.863 . . . . 0.0 112.19 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.599 ' HB1' ' HB2' ' A' ' 74' ' ' SER . . . -155.26 175.2 14.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.792 0.33 . . . . 0.0 110.678 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -112.67 116.29 29.91 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.796 179.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.403 ' O ' ' HB2' ' A' ' 28' ' ' ASP . 13.6 mt-10 -116.2 172.07 7.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.447 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 21.8 ttt180 -69.69 -39.19 77.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.192 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.89 -22.59 49.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 179.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.403 ' HB2' ' O ' ' A' ' 25' ' ' GLU . 0.4 OUTLIER -71.42 -28.49 64.03 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.764 179.221 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -77.07 -36.54 55.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.975 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -64.75 -44.68 89.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.043 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.3 mttp -64.42 -37.88 89.09 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.118 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.423 ' O ' HG12 ' A' ' 36' ' ' ILE . 1.9 tm-20 -52.36 -63.64 1.08 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.226 179.475 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -47.0 -48.61 21.72 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.933 0.397 . . . . 0.0 111.039 179.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.32 -52.39 63.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.407 179.654 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -54.45 -26.67 32.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.883 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.423 HG12 ' O ' ' A' ' 32' ' ' GLU . 28.8 mm -82.5 -53.36 11.91 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.973 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -43.25 -43.17 4.67 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 121.024 0.44 . . . . 0.0 111.218 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -60.12 -38.72 83.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.535 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -57.36 -26.22 60.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.413 -179.413 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -90.24 6.38 43.11 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.58 0.229 . . . . 0.0 111.45 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 50.83 69.86 1.0 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.436 -0.888 . . . . 0.0 112.24 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.6 mttm -148.3 -152.81 0.46 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 110.149 -0.315 . . . . 0.0 110.149 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -68.8 -166.76 0.08 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.01 0.433 . . . . 0.0 111.562 -179.259 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -140.32 -60.08 0.53 Allowed 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 178.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -93.43 22.94 32.45 Favored Glycine 0 N--CA 1.451 -0.311 0 CA-C-N 114.932 -1.031 . . . . 0.0 112.232 179.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.24 -159.43 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 117.442 0.621 . . . . 0.0 110.845 179.181 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -89.24 -51.47 5.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.948 0.404 . . . . 0.0 110.388 178.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -51.79 -40.5 60.47 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.708 -179.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 43.1 t -76.41 -41.32 35.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 C-N-CA 121.05 -0.26 . . . . 0.0 110.443 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -60.75 -40.71 93.48 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 178.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 21.1 m -57.22 -58.83 6.49 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.04 178.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 50.0 tp -50.33 -58.77 4.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.317 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.81 -39.13 52.15 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.894 0.378 . . . . 0.0 110.219 179.129 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -58.98 -43.73 91.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.255 179.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.41 -49.94 56.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.055 179.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -51.15 -30.9 18.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.983 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -62.59 -51.14 58.26 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.537 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -61.13 -28.55 69.19 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.579 -0.82 . . . . 0.0 112.358 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.741 HD12 HG21 ' A' ' 103' ' ' VAL . 0.6 OUTLIER -56.05 -41.74 75.49 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.874 0.369 . . . . 0.0 110.573 179.885 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 77.6 t80 -60.23 -40.81 91.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.425 179.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -45.27 -49.71 12.33 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.441 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -57.22 -39.26 75.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.966 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.458 ' HB3' HD11 ' A' ' 75' ' ' LEU . 80.2 mt -64.73 -54.37 32.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.846 179.58 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -56.0 -42.04 75.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.957 0.408 . . . . 0.0 110.903 179.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.7 -57.02 7.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.376 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -60.55 -42.15 95.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.891 -179.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.443 ' CB ' ' CD2' ' A' ' 75' ' ' LEU . . . -76.06 -25.98 56.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.974 0.416 . . . . 0.0 111.255 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 75.82 45.8 15.87 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 121.113 -0.565 . . . . 0.0 113.809 178.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 41.7 t -115.99 -78.66 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.762 0.281 . . . . 0.0 111.228 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 166.56 158.22 10.98 Favored Glycine 0 C--N 1.331 0.293 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.333 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 23.6 t -61.72 -21.93 64.93 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.695 0.283 . . . . 0.0 111.107 179.236 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -114.34 12.09 17.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.368 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -92.65 -165.83 38.65 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.564 -0.827 . . . . 0.0 112.271 179.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.599 ' HB2' ' HB1' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -141.4 154.14 45.44 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.049 0.452 . . . . 0.0 111.787 -179.155 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.458 HD11 ' HB3' ' A' ' 63' ' ' LEU . 1.3 mt -113.72 140.09 48.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.294 179.318 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 3.0 p -87.13 177.66 7.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.876 0.369 . . . . 0.0 111.1 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.419 ' OE1' ' CD2' ' A' ' 13' ' ' PHE . 2.3 tt0 -65.61 -50.83 63.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.188 179.663 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.53 -29.61 66.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.405 179.513 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.446 ' O ' HG22 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -72.74 -43.89 62.34 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.936 0.398 . . . . 0.0 110.576 179.335 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.681 ' O ' HG23 ' A' ' 84' ' ' THR . 6.9 t80 -52.63 -56.53 14.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.836 179.407 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 49.7 mt -54.02 -51.63 44.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.715 -179.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 7.6 ttt85 -56.56 -51.36 68.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.52 -179.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.446 HG22 ' O ' ' A' ' 79' ' ' GLN . 16.7 m -72.3 -39.93 64.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 -179.331 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.681 HG23 ' O ' ' A' ' 80' ' ' PHE . 36.7 p -61.15 -44.41 97.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.901 0.381 . . . . 0.0 110.194 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -49.71 -51.91 35.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.163 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.418 ' O ' ' N ' ' A' ' 90' ' ' GLU . 0.4 OUTLIER -60.1 -38.3 82.55 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.162 179.892 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.2 mt -58.7 -45.65 89.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.985 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.404 HG12 ' O ' ' A' ' 84' ' ' THR . 4.9 mm -73.35 -43.76 55.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.912 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -90.13 -78.33 0.37 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.889 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.418 ' N ' ' O ' ' A' ' 86' ' ' ASN . 0.3 OUTLIER -57.32 -162.12 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.897 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 66.88 147.64 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.646 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -79.96 155.53 38.85 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.794 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -52.62 -53.8 41.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.128 0.49 . . . . 0.0 110.168 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -63.08 -11.13 17.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.926 179.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 4.3 m -74.78 -43.97 51.99 Favored 'General case' 0 C--N 1.334 -0.089 0 CA-C-O 120.816 0.341 . . . . 0.0 111.074 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -68.41 -42.04 79.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.087 0.47 . . . . 0.0 110.25 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 43.7 t30 -67.25 -34.18 76.89 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.151 179.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 12.6 mmm-85 -63.7 -61.4 2.33 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.115 -0.493 . . . . 0.0 112.101 -179.42 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 10.5 t -76.75 -36.09 26.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 N-CA-C 113.008 0.744 . . . . 0.0 113.008 -177.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.826 HD13 ' HB ' ' A' ' 103' ' ' VAL . 0.2 OUTLIER -88.05 -27.62 21.88 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 119.708 -0.797 . . . . 0.0 111.558 -178.203 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.465 ' N ' ' HD2' ' A' ' 102' ' ' PRO . . . -43.48 -57.87 4.25 Favored Glycine 0 CA--C 1.522 0.518 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.848 179.58 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.465 ' HD2' ' N ' ' A' ' 101' ' ' GLY . 31.8 Cg_endo -64.58 -17.95 61.22 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.551 2.167 . . . . 0.0 112.261 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.826 ' HB ' HD13 ' A' ' 100' ' ' LEU . 44.4 t -81.05 -51.64 15.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 C-N-CA 120.786 -0.366 . . . . 0.0 110.452 179.715 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.811 HG21 HD22 ' A' ' 159' ' ' LEU . 4.4 t -69.59 -36.7 72.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.286 179.035 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.19 -58.04 9.32 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.697 179.561 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -42.91 -32.68 1.49 Allowed Glycine 0 C--N 1.333 0.409 0 C-N-CA 120.918 -0.658 . . . . 0.0 112.549 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 15.9 mt -74.57 -38.92 46.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.767 0.318 . . . . 0.0 110.853 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.724 HG21 ' CD2' ' A' ' 155' ' ' LEU . 46.3 t -63.7 -35.71 73.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.694 179.519 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -58.52 -42.29 95.88 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.118 179.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -79.4 -23.36 43.31 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 179.53 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 8.5 t -94.62 43.95 1.1 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.192 0.52 . . . . 0.0 111.346 -178.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -166.56 108.62 0.71 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.47 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.77 4.81 53.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.04 178.338 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 17.5 p30 -107.99 -19.58 13.46 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-O 120.801 0.334 . . . . 0.0 110.719 179.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . 65.67 61.44 0.68 Allowed 'General case' 0 C--N 1.334 -0.081 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.929 179.316 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 58.2 p30 -115.27 -14.0 11.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.34 179.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 81.25 8.83 86.77 Favored Glycine 0 CA--C 1.521 0.419 0 C-N-CA 120.838 -0.696 . . . . 0.0 113.077 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -125.17 164.26 20.65 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.024 0.44 . . . . 0.0 111.608 -179.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.693 HG13 HD11 ' A' ' 158' ' ' LEU . 35.8 mm -110.89 102.4 13.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.642 -179.302 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . 0.406 ' O ' ' N ' ' A' ' 123' ' ' GLU . 2.8 m-20 -85.08 158.16 20.51 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 179.332 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -47.42 -38.29 13.1 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 111.573 0.212 . . . . 0.0 111.573 -178.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -69.48 -26.44 64.56 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 110.024 -0.361 . . . . 0.0 110.024 179.284 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 120' ' ' ASN . 42.4 mt-10 -81.39 -46.29 14.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.056 178.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . 0.529 ' CE2' HD11 ' A' ' 128' ' ' LEU . 1.9 t80 -57.25 -49.31 76.45 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.0 0.428 . . . . 0.0 111.071 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.425 ' HA ' ' CB ' ' A' ' 138' ' ' ALA . . . -55.36 -46.2 76.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.064 -179.612 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -54.48 -32.82 58.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.613 -179.612 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 14.2 t90 -82.94 -43.72 16.14 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 111.813 0.301 . . . . 0.0 111.813 -179.047 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.529 HD11 ' CE2' ' A' ' 124' ' ' PHE . 0.3 OUTLIER -60.37 -40.55 91.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.087 -179.327 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . 0.421 ' HA ' ' O ' ' A' ' 133' ' ' MET . 0.2 OUTLIER -72.52 -27.08 62.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.058 0.456 . . . . 0.0 109.918 179.05 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -65.53 -37.93 88.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.732 179.362 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 31.9 mt -85.49 -6.28 59.21 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 112.215 0.45 . . . . 0.0 112.215 -178.385 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 112.11 26.88 4.18 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.213 -0.994 . . . . 0.0 113.769 179.015 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' MET . . . . . 0.421 ' O ' ' HA ' ' A' ' 129' ' ' THR . 60.6 mmm -102.62 153.09 20.44 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 117.074 0.437 . . . . 0.0 110.054 179.118 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.04 164.28 23.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.761 0.315 . . . . 0.0 111.204 -179.396 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -65.38 -26.34 67.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.381 -179.357 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -80.38 -24.47 39.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.199 179.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -72.32 -41.22 66.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.625 -179.23 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . 0.425 ' CB ' ' HA ' ' A' ' 125' ' ' ALA . . . -59.32 -55.56 33.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.967 0.413 . . . . 0.0 110.923 -179.762 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -49.32 -41.92 40.01 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.52 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.34 -48.76 54.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.99 -179.3 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . 0.717 ' O ' HG23 ' A' ' 145' ' ' VAL . . . -63.5 -36.64 84.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.887 0.375 . . . . 0.0 111.733 -179.031 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 73.9 t80 -54.75 -60.16 3.73 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.01 179.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -55.07 -35.73 64.85 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.908 -0.587 . . . . 0.0 112.152 -178.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.75 -30.64 70.91 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 111.811 0.3 . . . . 0.0 111.811 -179.266 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . 0.717 HG23 ' O ' ' A' ' 141' ' ' ALA . 19.7 t -83.82 -35.45 11.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 -178.333 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -61.5 78.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.125 0.488 . . . . 0.0 111.493 -179.078 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 147' ' ' THR . . . . . 0.444 ' N ' ' O ' ' A' ' 145' ' ' VAL . 65.0 m -56.08 -33.32 64.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.53 -0.759 . . . . 0.0 112.524 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -99.05 7.51 45.86 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.467 0.543 . . . . 0.0 112.467 -178.462 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 41.38 41.2 2.94 Favored Glycine 0 C--N 1.335 0.481 0 C-N-CA 120.919 -0.657 . . . . 0.0 113.027 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 42.8 p30 -98.41 -7.61 28.38 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 111.799 0.296 . . . . 0.0 111.799 -179.376 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 90.43 2.78 72.85 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.485 -0.864 . . . . 0.0 113.62 179.126 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -132.95 134.48 44.57 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 117.548 0.674 . . . . 0.0 110.824 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 0.472 ' HA ' HD23 ' A' ' 153' ' ' LEU . 12.7 mt -101.97 104.33 15.01 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.553 179.588 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.26 162.09 15.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.387 -179.536 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 155' ' ' LEU . . . . . 0.724 ' CD2' HG21 ' A' ' 108' ' ' VAL . 0.3 OUTLIER -41.63 -40.72 2.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.552 -179.821 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.4 -60.85 3.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.07 0.462 . . . . 0.0 111.049 179.723 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -64.46 -14.09 55.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.89 -0.596 . . . . 0.0 112.253 -179.145 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 158' ' ' LEU . . . . . 0.693 HD11 HG13 ' A' ' 119' ' ' ILE . 10.1 mt -71.29 -60.1 2.41 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.943 0.401 . . . . 0.0 110.957 179.738 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 0.811 HD22 HG21 ' A' ' 104' ' ' VAL . 0.5 OUTLIER . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.005 -179.701 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 42.1 mt . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.81 0.338 . . . . 0.0 111.453 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.437 ' HA ' ' NE ' ' A' ' 8' ' ' ARG . . . -61.85 -40.47 95.46 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.203 -0.453 . . . . 0.0 112.211 -179.083 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.69 -49.34 77.89 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.984 0.421 . . . . 0.0 111.149 -179.674 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -51.97 -54.28 31.55 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.94 -179.372 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.437 ' NE ' ' HA ' ' A' ' 5' ' ' ALA . 0.4 OUTLIER -63.06 -43.73 97.78 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.23 0.456 . . . . 0.0 112.23 -178.606 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.552 HD13 HG23 ' A' ' 81' ' ' ILE . 85.4 mt -76.35 -36.6 58.13 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 -178.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.99 -55.61 32.67 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.785 0.326 . . . . 0.0 111.056 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.409 ' O ' ' N ' ' A' ' 15' ' ' ARG . 32.2 mtmt -57.69 -45.41 85.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.136 -179.715 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -48.11 -31.02 5.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.482 -179.774 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -73.31 -60.86 2.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.969 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -68.36 -17.84 64.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.84 179.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.409 ' N ' ' O ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -73.41 -16.64 61.32 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.665 0.269 . . . . 0.0 111.113 179.915 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 41.9 m0 -103.16 -98.38 0.3 Allowed 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 116.68 -0.236 . . . . 0.0 110.992 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 40.84 78.23 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 120.813 0.34 . . . . 0.0 111.879 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.43 ' CE2' ' HB3' ' A' ' 31' ' ' LYS . 0.2 OUTLIER -55.93 -50.35 70.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.825 -179.106 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.402 ' OD1' ' N ' ' A' ' 19' ' ' ASP . 11.9 p-10 -96.2 -13.99 23.06 Favored 'General case' 0 CA--C 1.53 0.208 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 -179.221 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 78.95 42.53 12.37 Favored Glycine 0 CA--C 1.518 0.27 0 C-N-CA 120.449 -0.881 . . . . 0.0 112.678 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 39.1 p-10 -93.82 -8.18 41.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.859 0.33 . . . . 0.0 111.664 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 81.42 22.15 60.96 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.461 -0.876 . . . . 0.0 112.14 -179.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.646 ' HB1' ' HB3' ' A' ' 74' ' ' SER . . . -156.2 171.82 19.53 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.6 0.238 . . . . 0.0 110.496 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.799 ' HB3' HD12 ' A' ' 75' ' ' LEU . 0.9 OUTLIER -110.89 121.07 44.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.783 0.325 . . . . 0.0 110.512 179.615 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -120.42 172.87 7.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 7.0 ptt-85 -70.53 -35.36 73.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.843 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.72 -21.55 64.6 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.134 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -69.11 -29.98 68.17 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.894 0.378 . . . . 0.0 109.984 179.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.408 ' HB3' ' CG ' ' A' ' 56' ' ' PHE . 20.7 m-85 -76.94 -35.32 57.36 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.346 179.48 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -65.75 -42.53 90.82 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.573 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.43 ' HB3' ' CE2' ' A' ' 18' ' ' PHE . 15.8 mmtt -66.22 -44.46 83.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.824 0.345 . . . . 0.0 110.283 179.614 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.41 ' HA ' ' CZ ' ' A' ' 18' ' ' PHE . 3.7 tp10 -49.13 -64.02 0.93 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.416 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.433 ' HB3' ' HG3' ' A' ' 53' ' ' LYS . . . -44.19 -46.67 8.99 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.01 0.433 . . . . 0.0 111.048 179.404 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.09 -54.13 42.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.36 179.34 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 37.8 t-80 -52.22 -36.01 50.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.58 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 57.4 mt -72.61 -53.16 19.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.667 179.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -44.69 -44.18 8.92 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.046 179.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 -59.56 -40.69 88.11 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.526 179.35 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.3 -26.31 66.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.567 179.491 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -92.14 0.92 57.47 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.421 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 66.58 17.54 66.9 Favored Glycine 0 C--N 1.333 0.386 0 C-N-CA 120.512 -0.852 . . . . 0.0 112.488 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.7 mmmp? -92.61 157.51 16.46 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.907 0.384 . . . . 0.0 111.207 -179.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -72.78 127.24 31.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.516 179.546 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.588 ' O ' HG11 ' A' ' 49' ' ' VAL . . . -68.84 -14.18 62.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.467 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -103.7 12.64 53.69 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.356 -0.926 . . . . 0.0 113.73 -178.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.15 -164.01 0.05 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 117.282 0.541 . . . . 0.0 110.846 179.272 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -92.48 -46.36 7.68 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.239 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.0 -25.15 66.68 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.868 -179.151 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.588 HG11 ' O ' ' A' ' 44' ' ' ALA . 11.0 p -76.22 -44.43 36.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 120.868 0.366 . . . . 0.0 110.494 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.497 ' N ' HG13 ' A' ' 49' ' ' VAL . 1.8 tt0 -60.67 -41.6 95.4 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 179.011 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 59.1 m -59.95 -54.83 41.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.061 178.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 58.5 tp -51.27 -61.08 2.45 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.159 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.433 ' HG3' ' HB3' ' A' ' 33' ' ' ALA . 5.4 mtpm? -51.38 -39.44 57.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.739 0.304 . . . . 0.0 110.443 179.172 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -58.5 -41.67 85.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.636 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.43 -50.41 52.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.985 0.422 . . . . 0.0 110.741 179.422 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.408 ' CG ' ' HB3' ' A' ' 29' ' ' PHE . 0.1 OUTLIER -53.04 -28.54 24.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.682 179.786 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -63.04 -52.23 49.41 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.485 -0.864 . . . . 0.0 112.327 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -60.83 -26.37 65.13 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.571 -0.823 . . . . 0.0 112.574 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.725 HD23 HG21 ' A' ' 103' ' ' VAL . 1.0 OUTLIER -56.01 -43.8 78.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.735 0.303 . . . . 0.0 110.593 -179.819 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.415 ' CE1' ' HB2' ' A' ' 64' ' ' ALA . 56.6 t80 -59.28 -40.98 87.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.159 179.575 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -43.94 -48.69 8.59 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.902 0.382 . . . . 0.0 110.858 179.617 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 55.9 t80 -59.65 -39.73 85.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.465 179.369 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 14.6 mt -65.06 -55.32 19.54 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.644 179.688 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.548 ' HB1' ' O ' ' A' ' 69' ' ' VAL . . . -55.38 -48.49 74.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.59 179.505 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 4.6 mtmt -64.25 -51.54 63.1 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.88 0.371 . . . . 0.0 110.602 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -61.57 -41.5 97.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.797 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -75.31 -26.06 58.37 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.069 0.461 . . . . 0.0 111.385 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 102.65 1.57 49.74 Favored Glycine 0 CA--C 1.519 0.314 0 C-N-CA 120.803 -0.713 . . . . 0.0 113.921 178.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.548 ' O ' ' HB1' ' A' ' 64' ' ' ALA . 33.7 m -103.46 175.6 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 117.13 0.465 . . . . 0.0 110.576 179.697 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -84.61 175.6 50.79 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.916 -0.659 . . . . 0.0 114.086 -178.265 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.91 -15.66 59.59 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 115.099 -0.55 . . . . 0.0 110.915 178.198 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -111.57 13.0 21.31 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 122.573 0.349 . . . . 0.0 111.678 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -93.05 -164.42 37.64 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.437 -0.887 . . . . 0.0 112.703 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.646 ' HB3' ' HB1' ' A' ' 23' ' ' ALA . 58.2 m -141.61 153.74 44.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.926 0.394 . . . . 0.0 111.224 -179.173 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.799 HD12 ' HB3' ' A' ' 24' ' ' LEU . 0.1 OUTLIER -115.86 141.19 48.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.45 179.664 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 7.8 p -85.58 178.67 7.31 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.828 0.347 . . . . 0.0 111.082 -179.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -71.45 -49.42 41.67 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.526 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -57.53 -31.69 66.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.077 179.37 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.482 ' O ' HG22 ' A' ' 83' ' ' VAL . 6.8 mt-30 -73.79 -41.37 62.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.03 178.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -53.11 -51.53 61.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.355 178.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.552 HG23 HD13 ' A' ' 9' ' ' LEU . 59.9 mt -55.91 -52.07 53.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.484 -179.818 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.77 -52.0 67.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.785 -179.612 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.482 HG22 ' O ' ' A' ' 79' ' ' GLN . 18.5 m -72.02 -42.26 68.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 N-CA-C 112.022 0.379 . . . . 0.0 112.022 -179.332 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.453 ' N ' HG23 ' A' ' 83' ' ' VAL . 83.2 m -61.16 -46.75 89.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.022 0.439 . . . . 0.0 110.374 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -50.88 -47.93 60.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.85 -0.613 . . . . 0.0 111.411 -179.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.404 ' OD1' ' HB3' ' A' ' 90' ' ' GLU . 0.6 OUTLIER -59.04 -37.69 77.6 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.425 -179.733 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.8 mt -60.45 -47.97 83.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.389 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 28.0 mm -71.0 -45.07 74.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.509 -179.39 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 -89.2 -78.29 0.36 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.72 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.404 ' HB3' ' OD1' ' A' ' 86' ' ' ASN . 0.0 OUTLIER -62.58 -158.53 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.701 179.856 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 66.42 142.79 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.935 0.397 . . . . 0.0 110.677 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -76.17 155.85 46.39 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.959 -0.638 . . . . 0.0 113.185 -179.455 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -55.15 -52.93 61.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.164 0.506 . . . . 0.0 110.434 179.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.63 -11.96 20.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.541 -0.754 . . . . 0.0 112.164 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.4 t -74.86 -42.99 56.85 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.728 0.299 . . . . 0.0 110.897 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.771 ' CE1' HD22 ' A' ' 100' ' ' LEU . 0.2 OUTLIER -68.72 -43.05 76.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.071 179.896 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 20.8 m-20 -66.36 -37.04 84.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.653 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.411 ' O ' ' HD3' ' A' ' 102' ' ' PRO . 7.8 ttm180 -63.66 -64.66 0.84 Allowed 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.305 0.483 . . . . 0.0 112.305 -179.033 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.679 HG12 HD22 ' A' ' 59' ' ' LEU . 38.2 t -70.55 -35.75 62.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 112.917 0.71 . . . . 0.0 112.917 -177.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.771 HD22 ' CE1' ' A' ' 96' ' ' PHE . 5.1 tp -87.95 -28.12 21.68 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 119.893 -0.723 . . . . 0.0 111.65 -178.149 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -44.95 -56.84 5.7 Favored Glycine 0 CA--C 1.519 0.322 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.45 179.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.411 ' HD3' ' O ' ' A' ' 98' ' ' ARG . 23.5 Cg_exo -62.77 -20.15 70.37 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.721 2.28 . . . . 0.0 111.845 179.425 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.725 HG21 HD23 ' A' ' 59' ' ' LEU . 6.3 t -78.37 -51.69 17.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.046 -179.545 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.818 ' CG1' HD13 ' A' ' 158' ' ' LEU . 8.5 t -68.2 -32.83 57.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 120.981 0.42 . . . . 0.0 110.929 179.606 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -56.64 -53.39 58.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.692 179.467 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -47.26 -36.13 10.05 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.746 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.427 ' O ' ' HG3' ' A' ' 110' ' ' MET . 23.9 mt -74.44 -39.0 47.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.802 0.334 . . . . 0.0 111.226 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.72 HG13 HD11 ' A' ' 119' ' ' ILE . 35.1 t -60.81 -37.18 75.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.742 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -57.89 -42.13 94.55 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.429 179.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' MET . . . . . 0.427 ' HG3' ' O ' ' A' ' 107' ' ' ILE . 4.1 ptp -79.66 -26.55 41.01 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.804 0.335 . . . . 0.0 110.505 179.734 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 65.2 m -93.48 45.3 1.16 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.15 0.5 . . . . 0.0 111.309 -178.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 34.0 t0 -165.9 107.91 0.75 Allowed 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.585 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -93.55 -3.03 53.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.149 178.724 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -102.04 -13.26 17.61 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-O 120.596 0.236 . . . . 0.0 110.877 179.528 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . 61.99 56.96 2.2 Favored 'General case' 0 C--N 1.332 -0.155 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 179.15 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 47.4 p30 -112.83 -12.64 13.29 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 121.022 -0.271 . . . . 0.0 111.202 179.173 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 79.73 8.65 87.54 Favored Glycine 0 C--N 1.334 0.431 0 C-N-CA 120.82 -0.705 . . . . 0.0 113.346 179.328 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -121.4 165.19 15.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.032 0.444 . . . . 0.0 111.447 -179.51 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.72 HD11 HG13 ' A' ' 108' ' ' VAL . 41.1 mm -111.54 99.69 9.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.74 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . 0.44 ' O ' ' N ' ' A' ' 123' ' ' GLU . 5.9 m120 -85.72 160.27 19.57 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 179.506 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.495 ' HB2' ' CE2' ' A' ' 142' ' ' PHE . . . -47.97 -36.84 13.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.731 0.3 . . . . 0.0 110.839 -179.188 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -71.14 -28.58 64.38 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.013 179.002 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 120' ' ' ASN . 45.5 mt-10 -81.73 -48.96 10.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.159 179.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -56.7 -51.74 67.62 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.799 0.333 . . . . 0.0 111.083 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.421 ' HA ' ' CB ' ' A' ' 138' ' ' ALA . . . -53.13 -43.36 66.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.673 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -57.38 -34.11 68.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.588 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' TRP . . . . . 0.461 ' O ' ' HB3' ' A' ' 130' ' ' ALA . 13.5 t90 -81.87 -41.74 20.55 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 111.765 0.283 . . . . 0.0 111.765 -178.776 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.466 HD12 ' HA ' ' A' ' 138' ' ' ALA . 50.6 mt -61.0 -42.17 97.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.95 0.405 . . . . 0.0 110.869 -179.725 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . 0.412 HG22 ' O ' ' A' ' 133' ' ' MET . 40.3 p -71.45 -19.64 62.2 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.311 179.001 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . 0.461 ' HB3' ' O ' ' A' ' 127' ' ' TRP . . . -63.78 -36.53 84.2 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.933 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -87.82 -5.49 58.59 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.62 -0.264 . . . . 0.0 111.572 -179.435 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 111.83 33.81 2.15 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.204 -0.998 . . . . 0.0 113.233 179.522 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' MET . . . . . 0.412 ' O ' HG22 ' A' ' 129' ' ' THR . 9.8 mmt -101.75 153.01 20.18 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 179.149 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 52.6 p -82.72 149.74 27.12 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.618 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 1.6 tptt -56.09 -25.34 45.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.929 -179.096 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -75.65 -25.99 57.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.917 0.389 . . . . 0.0 111.027 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -73.34 -33.94 65.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.674 -179.388 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . 0.466 ' HA ' HD12 ' A' ' 128' ' ' LEU . . . -60.99 -59.34 5.53 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.037 0.446 . . . . 0.0 110.742 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -47.57 -43.49 25.43 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.24 179.551 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.42 -51.2 31.2 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.751 -179.382 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . 0.59 ' O ' HG23 ' A' ' 145' ' ' VAL . . . -63.07 -36.04 82.25 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.115 0.483 . . . . 0.0 111.188 -179.187 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 142' ' ' PHE . . . . . 0.495 ' CE2' ' HB2' ' A' ' 121' ' ' ALA . 71.9 t80 -54.42 -59.96 3.99 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.02 179.446 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 40.0 t30 -56.83 -34.31 67.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.477 -0.783 . . . . 0.0 112.912 -178.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -67.3 -33.28 74.96 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 112.25 0.463 . . . . 0.0 112.25 -178.702 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . 0.59 HG23 ' O ' ' A' ' 141' ' ' ALA . 13.3 t -84.76 -33.07 7.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 N-CA-C 112.626 0.602 . . . . 0.0 112.626 -178.153 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.15 78.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.026 0.441 . . . . 0.0 111.368 -179.36 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 147' ' ' THR . . . . . 0.436 ' N ' ' O ' ' A' ' 145' ' ' VAL . 0.2 OUTLIER -56.56 -34.7 67.37 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.629 -0.714 . . . . 0.0 112.56 179.468 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 148' ' ' ASN . . . . . 0.417 ' ND2' ' OE2' ' A' ' 157' ' ' GLU . 30.5 p30 -94.5 7.43 45.61 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 -178.36 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 40.95 38.57 1.71 Allowed Glycine 0 C--N 1.336 0.535 0 C-N-CA 121.096 -0.573 . . . . 0.0 112.969 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 30.2 p-10 -94.99 -7.37 39.98 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 111.644 0.239 . . . . 0.0 111.644 -179.466 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 87.75 6.83 75.89 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.452 -0.88 . . . . 0.0 113.431 179.167 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -135.06 135.19 41.08 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 117.507 0.654 . . . . 0.0 111.149 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 0.552 HD21 ' CG1' ' A' ' 145' ' ' VAL . 6.9 mt -100.62 101.56 12.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.12 178.708 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 12.6 p -87.57 169.96 11.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.157 0.503 . . . . 0.0 111.977 -178.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 155' ' ' LEU . . . . . 0.556 ' CD2' HG21 ' A' ' 108' ' ' VAL . 58.5 mt -48.61 -46.47 39.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.161 -179.775 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.78 -61.01 2.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.298 -179.716 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 157' ' ' GLU . . . . . 0.417 ' OE2' ' ND2' ' A' ' 148' ' ' ASN . 17.9 mt-10 -65.41 -14.91 61.94 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.948 -0.569 . . . . 0.0 112.362 -179.014 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 158' ' ' LEU . . . . . 0.818 HD13 ' CG1' ' A' ' 104' ' ' VAL . 0.4 OUTLIER -70.17 -66.88 0.54 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.941 0.4 . . . . 0.0 110.485 179.596 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 0.447 ' CB ' HD23 ' A' ' 100' ' ' LEU . 2.3 pp . . . . . 0 C--N 1.331 -0.198 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.015 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 15.7 mm . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.858 0.361 . . . . 0.0 111.457 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.12 -29.66 70.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.804 -179.429 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.7 m -61.3 -43.29 99.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.839 0.352 . . . . 0.0 111.224 -179.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.31 -45.86 89.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.555 -179.403 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.14 -43.62 98.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.475 -179.033 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 46.0 mt -77.41 -36.58 53.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.666 0.27 . . . . 0.0 111.452 -179.15 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.74 -57.46 12.92 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.786 0.326 . . . . 0.0 110.878 -179.797 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.413 ' O ' ' N ' ' A' ' 15' ' ' ARG . 5.8 mttt -56.25 -45.44 80.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.91 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.415 ' NH2' ' CZ2' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -47.63 -30.39 3.65 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.916 0.389 . . . . 0.0 111.011 179.896 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -74.11 -58.98 2.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.646 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -69.38 -14.38 62.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.155 179.571 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.413 ' N ' ' O ' ' A' ' 11' ' ' LYS . 0.2 OUTLIER -73.03 -21.94 60.72 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.601 0.239 . . . . 0.0 111.138 -179.626 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.415 ' CZ2' ' NH2' ' A' ' 12' ' ' ARG . 6.4 m0 -99.0 -93.84 0.25 Allowed 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 116.631 -0.258 . . . . 0.0 111.108 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 40.33 73.35 0.12 Allowed 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 121.013 0.435 . . . . 0.0 111.667 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.414 ' CE2' ' HB3' ' A' ' 31' ' ' LYS . 30.4 m-85 -54.24 -51.23 65.17 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.578 -179.309 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 25.8 p-10 -99.13 -13.25 19.87 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 -179.417 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.87 47.57 9.47 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.41 -0.9 . . . . 0.0 112.247 -179.539 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 41.6 p-10 -93.18 -9.63 38.62 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 111.785 0.291 . . . . 0.0 111.785 -179.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 80.0 21.07 66.33 Favored Glycine 0 C--N 1.331 0.303 0 C-N-CA 120.551 -0.833 . . . . 0.0 112.391 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -155.67 176.4 12.67 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 110.184 -0.302 . . . . 0.0 110.184 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -115.01 122.16 45.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.726 0.298 . . . . 0.0 110.532 179.683 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -121.48 172.48 8.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.004 0.43 . . . . 0.0 110.884 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.08 -34.25 76.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.878 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.1 -20.71 66.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.105 179.535 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -71.31 -32.9 69.17 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.908 0.385 . . . . 0.0 110.058 179.421 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 -77.15 -37.1 54.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.799 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -64.16 -40.04 95.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.458 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.414 ' HB3' ' CE2' ' A' ' 18' ' ' PHE . 12.5 mttt -66.53 -38.95 88.26 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.898 0.38 . . . . 0.0 110.11 179.481 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.421 ' O ' HG12 ' A' ' 36' ' ' ILE . 3.7 tp10 -49.86 -65.03 0.63 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.482 179.726 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -45.23 -47.7 12.7 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.013 0.435 . . . . 0.0 110.786 179.585 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -61.74 -54.64 39.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.056 179.193 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 37.9 t-80 -54.39 -41.79 69.66 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.436 179.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.421 HG12 ' O ' ' A' ' 32' ' ' GLU . 17.7 mm -66.08 -56.75 13.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 179.697 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.535 ' HB2' HG13 ' A' ' 49' ' ' VAL . . . -42.21 -42.27 2.98 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.905 0.383 . . . . 0.0 111.359 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -59.52 -38.78 81.86 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.111 179.536 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.14 -27.32 66.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.068 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -90.48 2.16 55.97 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.325 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 59.1 15.88 31.1 Favored Glycine 0 C--N 1.333 0.398 0 C-N-CA 120.865 -0.683 . . . . 0.0 113.118 179.41 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.86 92.99 6.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.855 0.359 . . . . 0.0 110.916 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.546 ' CB ' ' HB2' ' A' ' 46' ' ' ALA . 0.7 OUTLIER 38.64 -158.53 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.94 179.479 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -139.67 -57.44 0.57 Allowed 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 107.733 -1.21 . . . . 0.0 107.733 177.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -96.47 27.79 15.92 Favored Glycine 0 N--CA 1.451 -0.322 0 CA-C-N 114.628 -1.169 . . . . 0.0 111.829 178.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.546 ' HB2' ' CB ' ' A' ' 43' ' ' ASP . . . -69.89 -169.3 0.25 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.876 0.369 . . . . 0.0 111.244 179.747 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -80.83 -53.32 6.58 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.402 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -59.59 -27.43 66.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.833 -178.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.535 HG13 ' HB2' ' A' ' 37' ' ' ALA . 4.0 t -76.41 -43.27 36.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 179.555 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 33.8 tp60 -61.12 -42.2 98.1 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 178.388 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 54.1 m -59.82 -56.8 17.27 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.474 179.15 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.407 HD13 ' C ' ' A' ' 106' ' ' GLY . 40.1 tp -52.29 -58.44 6.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.322 -179.567 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -51.42 -39.97 58.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.752 0.31 . . . . 0.0 110.482 179.448 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 15.2 t30 -59.23 -41.33 88.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.829 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.89 -41.5 82.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.761 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -57.5 -29.8 64.59 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.764 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -65.97 -49.41 58.68 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.935 -0.65 . . . . 0.0 112.756 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.411 ' O ' ' HB2' ' A' ' 61' ' ' ASP . . . -58.76 -33.48 73.11 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.855 -179.705 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 27.1 tp -54.97 -36.24 65.15 Favored 'General case' 0 C--N 1.328 -0.368 0 O-C-N 122.669 -0.312 . . . . 0.0 110.85 -179.414 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.77 ' HA ' HD12 ' A' ' 63' ' ' LEU . 18.2 t80 -63.37 -43.56 97.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.986 179.769 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.411 ' HB2' ' O ' ' A' ' 58' ' ' GLY . 1.3 m-20 -43.55 -49.16 7.51 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.415 -179.763 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -57.22 -35.16 69.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.037 0.446 . . . . 0.0 110.569 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.77 HD12 ' HA ' ' A' ' 60' ' ' PHE . 27.5 mt -66.29 -54.86 19.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.033 179.755 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.417 ' O ' ' N ' ' A' ' 68' ' ' GLY . . . -56.05 -42.9 77.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.936 0.398 . . . . 0.0 111.142 -179.738 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.64 -57.95 6.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.267 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.83 -41.58 97.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.768 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -77.49 -25.65 50.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.984 0.421 . . . . 0.0 111.118 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 64' ' ' ALA . . . 80.19 53.77 4.05 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.873 -0.679 . . . . 0.0 113.634 178.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.449 ' CG1' ' HA3' ' A' ' 73' ' ' GLY . 92.4 t -111.38 -88.08 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.67 0.235 . . . . 0.0 111.268 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.551 ' O ' ' CB ' ' A' ' 71' ' ' SER . . . 177.04 -20.95 0.05 OUTLIER Glycine 0 CA--C 1.525 0.693 0 C-N-CA 119.681 -1.247 . . . . 0.0 114.607 -179.761 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.551 ' CB ' ' O ' ' A' ' 70' ' ' GLY . 21.7 m 110.57 -27.75 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 124.197 0.999 . . . . 0.0 109.915 -178.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -110.62 5.87 21.35 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.315 179.807 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.449 ' HA3' ' CG1' ' A' ' 69' ' ' VAL . . . -95.03 -156.02 31.78 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.225 -0.988 . . . . 0.0 112.599 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -143.26 155.75 44.57 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.041 0.448 . . . . 0.0 111.635 -179.229 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -115.31 136.92 52.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.251 179.422 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 2.2 p -84.33 171.88 12.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.996 -179.582 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -62.18 -49.07 77.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.74 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -58.21 -31.33 67.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.243 179.39 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -73.2 -42.04 63.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.279 179.135 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.459 ' CD1' ' OG1' ' A' ' 84' ' ' THR . 36.0 t80 -51.8 -56.08 16.05 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.782 179.364 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 37.4 mt -54.86 -49.33 70.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.583 -179.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 5.3 mtm-85 -58.78 -54.98 40.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.656 -179.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 50.8 t -71.33 -40.55 73.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 -179.18 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.459 ' OG1' ' CD1' ' A' ' 80' ' ' PHE . 68.7 m -60.2 -43.79 95.65 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.934 0.397 . . . . 0.0 110.007 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -47.27 -52.97 14.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.291 179.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -60.02 -36.42 77.22 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.441 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.87 -46.3 81.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.491 179.754 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 10.5 mt -74.54 -39.66 47.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.812 179.625 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -91.37 -82.37 0.3 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.229 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.35 -167.5 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.285 -179.603 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.466 ' HB3' ' CB ' ' A' ' 95' ' ' SER . 3.1 mt-30 75.25 -74.35 0.08 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.817 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 123.14 172.72 13.9 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.223 -0.989 . . . . 0.0 113.355 179.438 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -57.31 -57.79 11.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.035 0.445 . . . . 0.0 111.265 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -59.41 -14.62 12.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.742 -0.663 . . . . 0.0 112.577 -179.113 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . 0.466 ' CB ' ' HB3' ' A' ' 91' ' ' GLN . 0.2 OUTLIER -77.5 -44.47 28.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.724 0.297 . . . . 0.0 111.013 -179.73 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.655 ' CE2' HD22 ' A' ' 100' ' ' LEU . 0.6 OUTLIER -70.8 -40.01 72.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.963 179.849 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.407 ' O ' ' N ' ' A' ' 101' ' ' GLY . 0.7 OUTLIER -68.6 -36.98 79.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.069 -0.514 . . . . 0.0 112.015 -179.37 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 3.4 ttp85 -64.54 -66.64 0.52 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.805 0.336 . . . . 0.0 111.73 -179.05 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 4.0 p -65.26 -39.38 85.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.155 -0.475 . . . . 0.0 112.274 -178.208 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.657 HD12 HG21 ' A' ' 103' ' ' VAL . 8.4 tp -88.48 -24.21 23.03 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 120.203 -0.599 . . . . 0.0 112.12 -177.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.487 ' N ' ' HD2' ' A' ' 102' ' ' PRO . . . -40.4 -53.46 3.47 Favored Glycine 0 CA--C 1.523 0.558 0 C-N-CA 120.902 -0.666 . . . . 0.0 112.947 179.502 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.487 ' HD2' ' N ' ' A' ' 101' ' ' GLY . 58.5 Cg_endo -71.43 -9.31 24.99 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.619 2.212 . . . . 0.0 112.478 179.458 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.657 HG21 HD12 ' A' ' 100' ' ' LEU . 86.1 t -80.98 -53.81 11.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.882 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.565 ' O ' HG23 ' A' ' 108' ' ' VAL . 45.5 t -69.01 -33.38 58.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.116 0.484 . . . . 0.0 110.612 179.632 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 17.3 mttt -58.76 -46.75 86.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.425 178.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . 0.407 ' C ' HD13 ' A' ' 52' ' ' LEU . . . -52.7 -36.96 50.32 Favored Glycine 0 N--CA 1.451 -0.301 0 CA-C-N 115.756 -0.656 . . . . 0.0 112.558 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.643 HG21 ' CZ2' ' A' ' 127' ' ' TRP . 26.3 mm -73.69 -40.49 54.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.909 0.385 . . . . 0.0 110.793 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.692 HG22 HD11 ' A' ' 119' ' ' ILE . 43.6 t -64.08 -36.59 77.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.298 179.717 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -60.93 -40.71 98.77 Favored Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.869 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 5.1 ptp -78.67 -23.99 45.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.616 0.245 . . . . 0.0 111.307 -179.307 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 26.1 t -98.99 -21.74 16.09 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 113.157 0.799 . . . . 0.0 113.157 -178.071 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -63.52 104.53 0.65 Allowed 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.377 -0.529 . . . . 0.0 111.395 -178.417 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.79 -20.44 27.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.745 -0.662 . . . . 0.0 110.816 179.107 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 21.1 p-10 -108.65 7.84 26.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.496 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . 42.03 57.32 3.26 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.68 0.276 . . . . 0.0 111.509 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 24.4 p-10 -116.31 -11.06 11.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.721 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 77.85 11.43 85.42 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.906 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -123.51 166.27 15.7 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.941 0.401 . . . . 0.0 111.289 -179.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.736 HG13 HD11 ' A' ' 158' ' ' LEU . 47.7 mm -109.44 100.31 10.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.331 -179.337 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . 0.423 ' O ' ' N ' ' A' ' 123' ' ' GLU . 1.0 OUTLIER -85.17 158.79 20.28 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 178.853 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.447 ' HA ' ' CD1' ' A' ' 142' ' ' PHE . . . -48.77 -35.88 15.26 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.83 -0.348 . . . . 0.0 111.1 -179.075 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.5 -29.14 65.58 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 178.734 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . 0.423 ' N ' ' O ' ' A' ' 120' ' ' ASN . 25.9 mt-10 -79.61 -48.98 12.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.31 -0.404 . . . . 0.0 109.994 178.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . 0.611 ' CE2' HD11 ' A' ' 128' ' ' LEU . 20.7 t80 -57.14 -50.89 71.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.352 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.432 ' HA ' ' HB1' ' A' ' 138' ' ' ALA . . . -53.67 -45.93 70.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.16 -179.459 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -55.2 -33.75 63.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.615 -179.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' TRP . . . . . 0.643 ' CZ2' HG21 ' A' ' 107' ' ' ILE . 8.2 t90 -83.83 -45.01 13.74 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 112.356 0.502 . . . . 0.0 112.356 -178.568 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.611 HD11 ' CE2' ' A' ' 124' ' ' PHE . 12.1 mt -59.08 -41.36 87.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.791 0.329 . . . . 0.0 111.062 -179.205 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -71.36 -26.54 62.85 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.239 178.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.96 -36.54 83.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.762 -0.653 . . . . 0.0 111.177 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 11.6 mt -84.85 3.45 37.82 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.364 0.505 . . . . 0.0 112.364 -178.362 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 104.72 24.31 7.42 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.094 -1.05 . . . . 0.0 113.633 178.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' MET . . . . . 0.419 ' CG ' ' O ' ' A' ' 128' ' ' LEU . 3.2 mmt -99.48 155.13 17.72 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 117.04 0.42 . . . . 0.0 110.165 179.339 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -82.78 163.7 21.08 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.754 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -66.76 -22.15 66.05 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.723 -179.322 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -80.29 -26.72 38.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.427 -0.352 . . . . 0.0 111.142 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -73.54 -38.63 65.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.345 -179.584 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . 0.55 ' HA ' HD12 ' A' ' 128' ' ' LEU . . . -60.45 -59.24 5.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.833 0.349 . . . . 0.0 110.959 -179.792 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -47.04 -43.65 20.01 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.172 179.672 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.02 -49.02 55.56 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.653 -179.477 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . 0.545 ' O ' HG23 ' A' ' 145' ' ' VAL . . . -62.78 -36.61 83.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.653 -179.139 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 142' ' ' PHE . . . . . 0.447 ' CD1' ' HA ' ' A' ' 121' ' ' ALA . 73.4 t80 -54.75 -59.23 5.01 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.803 179.513 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -57.51 -34.45 69.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.555 -0.748 . . . . 0.0 112.964 -179.19 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -67.61 -32.86 73.87 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 112.196 0.443 . . . . 0.0 112.196 -178.389 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . 0.545 HG23 ' O ' ' A' ' 141' ' ' ALA . 16.5 t -83.39 -29.49 7.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 112.205 0.446 . . . . 0.0 112.205 -178.677 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -62.35 78.16 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.163 0.506 . . . . 0.0 111.274 -179.09 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 147' ' ' THR . . . . . 0.45 ' N ' ' O ' ' A' ' 145' ' ' VAL . 47.3 m -56.13 -33.26 64.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.514 -0.766 . . . . 0.0 112.529 179.746 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 148' ' ' ASN . . . . . 0.42 ' ND2' ' OE2' ' A' ' 157' ' ' GLU . 29.0 p30 -98.2 7.12 46.72 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.498 0.555 . . . . 0.0 112.498 -178.449 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 39.72 38.19 1.05 Allowed Glycine 0 C--N 1.335 0.501 0 C-N-CA 121.067 -0.587 . . . . 0.0 113.511 179.585 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 43.9 p-10 -95.55 -5.15 43.36 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.581 0.229 . . . . 0.0 111.583 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 91.26 1.97 71.48 Favored Glycine 0 C--N 1.333 0.409 0 C-N-CA 120.633 -0.794 . . . . 0.0 113.669 178.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -132.97 135.08 45.29 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 117.517 0.659 . . . . 0.0 111.145 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 21.0 mt -95.86 102.34 14.12 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.024 178.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 50.5 m -86.86 161.12 18.48 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.117 0.484 . . . . 0.0 111.54 -179.024 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 155' ' ' LEU . . . . . 0.411 ' O ' ' HG ' ' A' ' 159' ' ' LEU . 1.5 tt -48.34 -44.09 33.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.235 -179.791 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -55.7 -60.36 3.55 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.537 -179.459 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 157' ' ' GLU . . . . . 0.42 ' OE2' ' ND2' ' A' ' 148' ' ' ASN . 31.9 mt-10 -63.0 -17.39 62.15 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.908 -0.587 . . . . 0.0 112.377 -178.666 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 158' ' ' LEU . . . . . 0.736 HD11 HG13 ' A' ' 119' ' ' ILE . 4.4 mt -71.92 -48.73 43.4 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.758 0.313 . . . . 0.0 110.341 179.208 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 0.476 ' CD2' HG21 ' A' ' 104' ' ' VAL . 0.9 OUTLIER . . . . . 0 N--CA 1.464 0.236 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.048 -179.768 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 40.1 mt . . . . . 0 CA--C 1.522 -0.12 0 CA-C-O 120.823 0.344 . . . . 0.0 111.242 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.46 -28.05 69.0 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.511 -179.477 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.01 -56.25 23.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.834 0.35 . . . . 0.0 110.671 179.792 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.11 -45.43 61.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.062 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.56 -48.16 82.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.344 -179.138 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.562 HD13 HG23 ' A' ' 81' ' ' ILE . 8.9 mt -75.96 -33.26 59.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.783 0.325 . . . . 0.0 111.1 -179.297 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.13 -63.76 1.19 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.734 -179.808 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' A' ' 15' ' ' ARG . 0.8 OUTLIER -50.56 -43.06 56.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.498 179.652 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.23 -34.85 3.0 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.115 179.566 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 14.3 t80 -73.2 -53.96 9.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.565 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -70.92 -15.5 62.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.234 179.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.438 ' N ' ' O ' ' A' ' 11' ' ' LYS . 52.9 ttt-85 -75.53 -23.48 56.68 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 111.776 0.287 . . . . 0.0 111.776 -179.323 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.469 ' CH2' ' HG3' ' A' ' 32' ' ' GLU . 10.9 m95 -99.3 -96.53 0.24 Allowed 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 121.204 -0.198 . . . . 0.0 111.216 -179.693 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 41.05 73.08 0.13 Allowed 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.041 0.448 . . . . 0.0 111.432 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.414 ' HB2' ' OD1' ' A' ' 28' ' ' ASP . 0.4 OUTLIER -54.85 -49.08 71.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.585 -178.849 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 33.0 p30 -98.04 -13.15 21.2 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 111.885 0.328 . . . . 0.0 111.885 -179.614 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.54 45.23 14.18 Favored Glycine 0 C--N 1.331 0.267 0 C-N-CA 120.498 -0.858 . . . . 0.0 112.624 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.755 ' ND2' ' HB3' ' A' ' 23' ' ' ALA . 14.6 p-10 -92.79 -8.63 43.12 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 111.814 0.301 . . . . 0.0 111.814 -179.568 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 78.69 20.45 71.15 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.38 -0.915 . . . . 0.0 111.921 -179.335 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.755 ' HB3' ' ND2' ' A' ' 21' ' ' ASN . . . -153.47 168.68 25.31 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.973 -0.381 . . . . 0.0 109.973 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -106.91 116.79 32.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.824 0.345 . . . . 0.0 110.768 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.413 ' HG2' ' HB3' ' A' ' 74' ' ' SER . 8.5 mt-10 -120.01 169.35 10.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.846 -179.703 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.0 ttt180 -69.89 -42.17 73.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.39 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.33 -23.49 15.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.816 179.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.414 ' OD1' ' HB2' ' A' ' 18' ' ' PHE . 22.1 m-20 -72.91 -28.81 62.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.192 179.378 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -75.74 -39.64 56.87 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.833 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -62.36 -37.4 85.56 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.154 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 19.1 mttt -68.22 -40.49 82.06 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.891 0.377 . . . . 0.0 110.233 179.147 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.469 ' HG3' ' CH2' ' A' ' 16' ' ' TRP . 75.6 tt0 -52.43 -67.45 0.25 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.237 179.66 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -44.0 -47.28 8.63 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.994 0.426 . . . . 0.0 111.033 179.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.419 ' HG2' ' HB1' ' A' ' 44' ' ' ALA . 23.8 mt-30 -62.68 -51.57 66.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.165 179.39 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -56.15 -25.65 47.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.674 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 20.6 mt -82.28 -54.3 9.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.849 179.659 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -44.53 -39.84 5.2 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 120.921 0.391 . . . . 0.0 111.053 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -60.55 -39.16 86.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.435 179.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -56.56 -21.77 28.75 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.693 0.282 . . . . 0.0 110.712 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -93.99 0.47 56.03 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.422 179.594 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 50.72 79.1 0.08 OUTLIER Glycine 0 C--N 1.333 0.396 0 C-N-CA 120.874 -0.679 . . . . 0.0 113.037 179.615 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 23.3 mtmt -149.81 -96.12 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 110.414 -0.217 . . . . 0.0 110.414 179.098 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -169.84 125.07 0.81 Allowed 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.907 0.384 . . . . 0.0 111.648 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.59 ' O ' HG11 ' A' ' 49' ' ' VAL . . . -67.6 -6.92 22.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.836 179.741 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -102.24 15.6 56.18 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.501 -0.857 . . . . 0.0 113.326 -179.417 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.71 -166.49 0.15 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.964 0.411 . . . . 0.0 111.003 179.543 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -93.23 -46.65 7.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.327 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -62.5 -21.53 65.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.319 -179.684 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.59 HG11 ' O ' ' A' ' 44' ' ' ALA . 11.2 p -76.1 -47.38 31.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.085 179.454 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.538 ' N ' HG13 ' A' ' 49' ' ' VAL . 18.2 tt0 -60.89 -42.5 98.09 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 178.691 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 18.1 m -58.24 -56.22 24.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.075 179.186 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 18.1 tp -51.57 -59.26 4.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.277 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.6 mtpm? -51.08 -42.5 60.63 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.534 0.207 . . . . 0.0 110.649 179.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -57.26 -42.1 80.92 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 179.355 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.82 -41.72 82.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.673 179.224 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -61.35 -30.87 70.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.502 179.603 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -64.86 -50.93 55.8 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.387 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -57.06 -31.16 61.38 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.644 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 9.0 tp -59.1 -40.09 84.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.583 0.23 . . . . 0.0 110.883 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.489 ' HA ' HD12 ' A' ' 63' ' ' LEU . 42.6 t80 -59.37 -44.54 92.72 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 179.587 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -41.67 -47.44 3.96 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.981 0.419 . . . . 0.0 111.085 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.478 ' HE2' HD21 ' A' ' 87' ' ' LEU . 17.8 t80 -59.94 -36.62 77.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.931 179.58 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.489 HD12 ' HA ' ' A' ' 60' ' ' PHE . 58.8 mt -66.67 -55.89 13.12 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.103 -179.73 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.842 ' HB1' ' O ' ' A' ' 69' ' ' VAL . . . -55.04 -49.26 72.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.332 -0.395 . . . . 0.0 112.024 179.744 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.6 -50.37 69.65 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.802 0.334 . . . . 0.0 111.01 -179.499 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -63.33 -41.01 98.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.974 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -78.34 -26.19 46.69 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.904 0.383 . . . . 0.0 111.393 -179.511 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 102.51 1.55 50.2 Favored Glycine 0 CA--C 1.52 0.377 0 C-N-CA 120.595 -0.812 . . . . 0.0 113.94 179.163 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.842 ' O ' ' HB1' ' A' ' 64' ' ' ALA . 35.5 m -102.75 171.57 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.997 0.399 . . . . 0.0 110.624 179.71 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -86.88 178.51 48.45 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 121.013 -0.613 . . . . 0.0 114.087 -178.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.2 t -64.95 -14.74 60.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.21 -0.495 . . . . 0.0 111.13 178.399 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -109.35 14.09 23.87 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.722 -0.217 . . . . 0.0 111.336 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -95.4 -165.08 34.84 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.426 -0.892 . . . . 0.0 112.92 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.474 ' HB2' ' HB1' ' A' ' 23' ' ' ALA . 0.1 OUTLIER -141.68 155.06 45.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.867 0.365 . . . . 0.0 111.29 -179.552 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.45 HD21 ' HB3' ' A' ' 63' ' ' LEU . 1.5 mp -114.32 141.94 46.95 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.778 179.727 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 5.3 p -88.57 162.52 16.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.093 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.454 ' O ' HD12 ' A' ' 81' ' ' ILE . 36.7 tt0 -56.12 -48.4 76.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.963 179.68 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.43 -31.08 68.95 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.862 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.56 ' O ' HG23 ' A' ' 83' ' ' VAL . 16.6 mm-40 -74.26 -40.99 61.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.066 0.46 . . . . 0.0 110.106 179.117 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.588 ' O ' HG23 ' A' ' 84' ' ' THR . 39.5 t80 -53.8 -54.99 30.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.835 179.175 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.562 HG23 HD13 ' A' ' 9' ' ' LEU . 3.9 mt -53.79 -51.14 47.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.695 -179.581 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 31.3 mmt180 -58.15 -48.81 79.11 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.393 -179.559 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 79' ' ' GLN . 21.5 t -73.04 -42.46 59.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 N-CA-C 112.259 0.466 . . . . 0.0 112.259 -179.317 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.588 HG23 ' O ' ' A' ' 80' ' ' PHE . 33.4 p -59.0 -44.08 91.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.94 0.4 . . . . 0.0 110.577 -179.572 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -52.16 -47.63 65.36 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.245 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.415 ' HA ' ' HB2' ' A' ' 90' ' ' GLU . 4.7 m120 -59.94 -39.99 87.41 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.604 -179.728 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.478 HD21 ' HE2' ' A' ' 62' ' ' TYR . 0.7 OUTLIER -57.42 -50.12 74.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.477 -179.796 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 4.4 mt -71.62 -47.43 57.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.591 -179.516 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -89.2 -76.07 0.42 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.399 -179.46 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.415 ' HB2' ' HA ' ' A' ' 86' ' ' ASN . 0.6 OUTLIER -57.65 -161.49 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.83 0.347 . . . . 0.0 110.85 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 11.2 mm-40 63.25 143.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.022 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -77.51 165.74 53.01 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.691 179.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -56.56 -56.65 18.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.944 0.402 . . . . 0.0 110.947 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.93 -12.27 10.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.788 -0.642 . . . . 0.0 112.482 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.76 -47.47 30.92 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.805 0.336 . . . . 0.0 110.327 179.71 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.632 ' CE1' HD22 ' A' ' 100' ' ' LEU . 0.1 OUTLIER -67.8 -44.42 77.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.96 179.736 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 15.1 m120 -68.11 -36.14 79.28 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.041 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 43.8 ttp85 -62.29 -66.08 0.59 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.684 -179.416 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 16.7 t -72.01 -34.4 50.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 112.917 0.71 . . . . 0.0 112.917 -178.149 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.632 HD22 ' CE1' ' A' ' 96' ' ' PHE . 3.2 tp -87.56 -28.07 22.19 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 119.673 -0.811 . . . . 0.0 111.858 -177.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.473 ' N ' ' HD2' ' A' ' 102' ' ' PRO . . . -41.57 -54.26 4.13 Favored Glycine 0 CA--C 1.523 0.554 0 C-N-CA 120.869 -0.681 . . . . 0.0 112.74 179.524 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.473 ' HD2' ' N ' ' A' ' 101' ' ' GLY . 57.0 Cg_endo -70.84 -15.15 33.05 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.644 2.229 . . . . 0.0 112.308 179.614 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 41.8 t -79.38 -52.82 14.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.944 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.931 ' O ' HG23 ' A' ' 108' ' ' VAL . 26.9 t -67.15 -28.57 43.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.121 0.486 . . . . 0.0 110.403 179.341 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 8.6 mttt -57.84 -48.18 80.5 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.356 178.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -52.33 -44.57 58.32 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.3 179.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 4.9 mt -72.87 -32.25 39.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.83 0.348 . . . . 0.0 110.569 179.635 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.931 HG23 ' O ' ' A' ' 104' ' ' VAL . 84.4 t -59.27 -42.01 85.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 179.132 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -75.66 57.36 2.99 Favored Glycine 0 CA--C 1.522 0.473 0 C-N-CA 121.021 -0.609 . . . . 0.0 112.159 178.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 22.3 mtp -159.05 -39.56 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.311 -0.444 . . . . 0.0 111.287 -179.581 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 2.7 m -92.35 43.21 1.12 Allowed 'General case' 0 CA--C 1.52 -0.186 0 CA-C-O 121.248 0.547 . . . . 0.0 111.625 -178.392 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . 0.42 ' OD1' ' N ' ' A' ' 115' ' ' ALA . 13.2 t70 -168.0 109.17 0.57 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.515 -179.578 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 9.1 mtmt -95.93 11.12 34.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.084 178.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -105.12 -19.66 13.75 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-O 120.8 0.333 . . . . 0.0 110.765 179.548 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.42 ' N ' ' OD1' ' A' ' 112' ' ' ASP . . . 62.43 67.63 0.71 Allowed 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 179.312 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 25.8 p-10 -121.12 -11.21 8.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.389 179.237 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 84.5 2.62 88.88 Favored Glycine 0 CA--C 1.521 0.424 0 C-N-CA 120.586 -0.816 . . . . 0.0 113.406 179.412 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 12.0 mm-40 -124.85 165.56 17.82 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 117.323 0.562 . . . . 0.0 111.638 -179.389 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.754 HG13 HD11 ' A' ' 158' ' ' LEU . 25.6 mm -113.01 100.98 11.83 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.75 -179.138 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . 0.424 ' O ' ' N ' ' A' ' 123' ' ' GLU . 0.6 OUTLIER -86.01 160.04 19.44 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.686 -0.406 . . . . 0.0 110.042 179.345 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -48.4 -38.8 20.48 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.669 0.271 . . . . 0.0 111.282 -178.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -69.67 -27.52 65.1 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 179.111 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 120' ' ' ASN . 3.8 mt-10 -82.35 -46.71 13.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.25 -0.432 . . . . 0.0 109.892 178.739 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -56.57 -48.39 77.46 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.914 0.388 . . . . 0.0 110.847 179.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.494 ' O ' HG23 ' A' ' 129' ' ' THR . . . -54.92 -45.25 74.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.795 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -54.93 -34.43 63.16 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.657 -179.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' TRP . . . . . 0.666 ' NE1' HD11 ' A' ' 131' ' ' LEU . 18.1 t90 -81.21 -39.85 24.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.784 0.326 . . . . 0.0 111.68 -179.005 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.606 HD13 ' HA ' ' A' ' 138' ' ' ALA . 0.2 OUTLIER -62.08 -44.1 97.39 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.399 -179.601 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . 0.494 HG23 ' O ' ' A' ' 125' ' ' ALA . 18.1 p -73.45 -25.84 60.67 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.933 179.799 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -65.2 -37.74 88.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.051 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.666 HD11 ' NE1' ' A' ' 127' ' ' TRP . 3.4 mt -85.96 -6.4 59.06 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 112.237 0.458 . . . . 0.0 112.237 -178.349 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 114.11 24.21 4.6 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 119.938 -1.125 . . . . 0.0 114.069 178.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' MET . . . . . 0.421 ' O ' ' HA ' ' A' ' 129' ' ' THR . 2.3 mmt -100.93 154.48 18.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 117.263 0.532 . . . . 0.0 110.107 179.164 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 3.2 m -83.38 154.74 23.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.748 0.309 . . . . 0.0 110.595 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -59.79 -20.77 58.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.699 -179.396 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -80.26 -28.39 38.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.848 179.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -73.18 -39.0 65.97 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.074 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . 0.606 ' HA ' HD13 ' A' ' 128' ' ' LEU . . . -58.9 -56.79 17.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.97 0.414 . . . . 0.0 110.416 179.722 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -49.56 -43.65 46.14 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.988 179.363 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -70.66 -48.09 56.6 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.658 -179.671 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . 0.433 ' O ' HG23 ' A' ' 145' ' ' VAL . . . -63.32 -41.78 98.94 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.828 -179.222 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 62.3 t80 -51.28 -58.28 6.61 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.68 179.436 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -57.21 -34.5 68.59 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.739 -0.664 . . . . 0.0 112.19 -179.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 144' ' ' GLN . . . . . 0.427 ' NE2' ' HA ' ' A' ' 141' ' ' ALA . 5.7 mt-30 -66.12 -37.18 85.08 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 -178.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . 0.464 ' O ' ' N ' ' A' ' 147' ' ' THR . 21.3 t -84.01 -31.67 8.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 112.616 0.599 . . . . 0.0 112.616 -177.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.9 78.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.216 0.532 . . . . 0.0 110.936 -179.481 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 147' ' ' THR . . . . . 0.464 ' N ' ' O ' ' A' ' 145' ' ' VAL . 0.1 OUTLIER -56.9 -30.2 63.72 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.444 -0.798 . . . . 0.0 112.184 179.652 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 148' ' ' ASN . . . . . 0.4 ' ND2' ' OE2' ' A' ' 157' ' ' GLU . 46.9 p30 -99.57 5.92 45.89 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.488 0.551 . . . . 0.0 112.488 -178.513 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 41.02 41.75 2.77 Favored Glycine 0 C--N 1.336 0.536 0 C-N-CA 120.918 -0.658 . . . . 0.0 113.127 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 31.4 p-10 -96.47 -7.74 34.01 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 111.737 0.273 . . . . 0.0 111.737 -179.433 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 87.75 5.08 78.53 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.499 -0.858 . . . . 0.0 113.432 179.223 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -134.7 136.73 42.96 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 117.25 0.525 . . . . 0.0 111.401 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 0.448 ' CB ' ' HB ' ' A' ' 119' ' ' ILE . 9.8 mt -99.84 102.48 13.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.1 178.751 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 14.0 m -90.49 168.43 11.84 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.922 0.392 . . . . 0.0 111.471 -179.137 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 155' ' ' LEU . . . . . 0.703 HD12 HG21 ' A' ' 108' ' ' VAL . 5.6 tp -50.77 -45.63 59.13 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.677 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -56.66 -61.03 2.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.111 0.482 . . . . 0.0 110.106 179.501 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 157' ' ' GLU . . . . . 0.4 ' OE2' ' ND2' ' A' ' 148' ' ' ASN . 36.2 mt-10 -65.11 -13.28 57.69 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.655 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 158' ' ' LEU . . . . . 0.754 HD11 HG13 ' A' ' 119' ' ' ILE . 0.2 OUTLIER -70.47 -42.32 71.6 Favored 'General case' 0 N--CA 1.457 -0.099 0 CA-C-O 120.954 0.407 . . . . 0.0 110.016 179.183 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 0.57 HD22 HG21 ' A' ' 104' ' ' VAL . 0.4 OUTLIER . . . . . 0 CA--C 1.52 -0.177 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.039 179.337 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 3.4 mt . . . . . 0 N--CA 1.456 -0.129 0 CA-C-O 121.113 0.482 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.92 -39.27 93.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.87 -179.463 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 m -59.71 -47.71 84.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.845 0.355 . . . . 0.0 111.093 -179.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -56.76 -50.34 72.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.483 -179.533 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -63.42 -46.27 87.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.612 -179.085 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.783 HD13 HG23 ' A' ' 81' ' ' ILE . 9.7 mt -75.35 -36.19 61.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.791 0.329 . . . . 0.0 111.28 -178.788 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.2 -45.94 89.75 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.757 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.417 ' O ' ' N ' ' A' ' 15' ' ' ARG . 1.5 mmpt? -66.86 -44.85 79.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.5 mmt180 -47.79 -33.84 7.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.21 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -73.95 -61.63 1.78 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.409 -179.64 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.09 -15.08 63.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.143 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.417 ' N ' ' O ' ' A' ' 11' ' ' LYS . 14.4 ttt85 -74.2 -17.04 60.95 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 111.651 0.241 . . . . 0.0 111.651 -179.374 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 53.1 m95 -109.0 -96.73 0.39 Allowed 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.848 -0.341 . . . . 0.0 111.798 -179.362 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 43.8 82.87 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 121.003 0.43 . . . . 0.0 110.864 -179.267 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.482 ' CZ ' ' HB3' ' A' ' 31' ' ' LYS . 0.2 OUTLIER -55.47 -52.68 62.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.822 -0.626 . . . . 0.0 112.076 -178.712 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.419 ' OD1' ' N ' ' A' ' 19' ' ' ASP . 20.4 p-10 -97.55 -12.61 22.35 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 111.805 0.298 . . . . 0.0 111.805 -179.296 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.26 44.06 18.78 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.497 -0.859 . . . . 0.0 112.366 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -92.29 -8.8 44.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.728 0.264 . . . . 0.0 111.562 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 82.58 20.16 62.46 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.577 -0.82 . . . . 0.0 112.425 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -155.27 177.72 11.03 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.579 0.228 . . . . 0.0 110.599 179.683 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -115.22 118.28 32.87 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.822 0.344 . . . . 0.0 110.492 179.782 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -115.11 171.06 7.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.097 0.475 . . . . 0.0 110.611 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.4 ' HA ' ' CD1' ' A' ' 60' ' ' PHE . 23.7 ttp180 -69.15 -34.17 74.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.932 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.63 -18.23 64.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.235 179.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -70.76 -29.63 65.9 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.788 0.327 . . . . 0.0 110.203 179.491 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -76.82 -39.31 51.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.265 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.38 -44.76 93.82 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.493 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.482 ' HB3' ' CZ ' ' A' ' 18' ' ' PHE . 5.4 mttt -64.7 -42.11 95.53 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.938 0.399 . . . . 0.0 110.015 179.468 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -53.4 -59.46 4.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.031 179.366 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.596 ' HA ' HD12 ' A' ' 36' ' ' ILE . . . -47.23 -49.15 23.74 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.007 0.432 . . . . 0.0 110.915 179.412 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.55 -47.86 84.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.069 179.493 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 4.4 t-80 -56.43 -22.91 34.96 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.648 179.532 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.596 HD12 ' HA ' ' A' ' 33' ' ' ALA . 58.2 mt -82.95 -55.7 6.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.141 179.718 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -44.29 -42.56 6.78 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-O 120.847 0.356 . . . . 0.0 111.255 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.11 -39.15 91.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.214 179.517 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.08 -30.77 71.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.064 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.427 ' CE2' ' HB3' ' A' ' 111' ' ' CYS . 0.1 OUTLIER -89.69 3.82 51.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.482 -179.745 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 52.92 65.49 3.33 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.458 -0.877 . . . . 0.0 112.487 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -147.63 91.48 1.96 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.814 0.34 . . . . 0.0 110.358 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.44 ' CB ' ' HB2' ' A' ' 46' ' ' ALA . 0.2 OUTLIER 39.43 -160.75 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.863 179.768 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -140.06 -58.26 0.55 Allowed 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 177.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -96.09 24.27 30.8 Favored Glycine 0 N--CA 1.453 -0.21 0 CA-C-N 114.73 -1.123 . . . . 0.0 112.254 179.496 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.44 ' HB2' ' CB ' ' A' ' 43' ' ' ASP . . . -68.77 -173.59 0.48 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 117.151 0.476 . . . . 0.0 110.815 179.465 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -76.6 -51.38 11.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.046 0.451 . . . . 0.0 110.431 179.321 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.4 ' HB2' ' HG2' ' A' ' 110' ' ' MET . 16.8 pt-20 -50.46 -39.07 46.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.801 -0.636 . . . . 0.0 112.312 -178.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 17.9 t -75.79 -37.98 36.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 C-N-CA 120.965 -0.294 . . . . 0.0 111.218 -179.097 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 17.8 tt0 -60.2 -42.58 95.42 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 178.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 24.9 m -57.03 -57.52 12.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.294 179.444 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.523 HD13 HG13 ' A' ' 107' ' ' ILE . 38.3 tp -50.56 -57.25 8.59 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.994 -0.282 . . . . 0.0 110.241 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 26.5 mtpp -50.42 -41.51 52.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.677 0.275 . . . . 0.0 110.484 179.294 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -58.69 -43.48 90.03 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 179.362 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.43 ' CB ' ' O ' ' A' ' 102' ' ' PRO . . . -67.58 -50.88 56.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.729 179.334 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.465 ' CD2' ' HB2' ' A' ' 33' ' ' ALA . 0.7 OUTLIER -51.26 -30.67 18.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.533 179.722 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -62.25 -50.51 64.34 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.173 179.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -64.31 -27.8 72.12 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.016 179.675 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 22.7 tp -57.11 -45.0 83.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.776 0.322 . . . . 0.0 110.461 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.408 ' O ' ' HB2' ' A' ' 63' ' ' LEU . 53.8 t80 -62.2 -39.94 94.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.949 0.404 . . . . 0.0 109.981 179.097 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -42.18 -48.16 4.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.486 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.67 ' HB2' HG21 ' A' ' 99' ' ' VAL . 73.9 t80 -58.18 -37.47 74.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.118 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.468 HD23 ' HA ' ' A' ' 63' ' ' LEU . 13.2 mt -64.64 -54.29 34.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.972 179.665 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.457 ' HA ' ' CG2' ' A' ' 69' ' ' VAL . . . -54.85 -44.4 73.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.861 0.363 . . . . 0.0 111.179 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.1 tptt -66.43 -55.15 17.08 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.023 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -60.09 -41.88 93.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.069 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -76.78 -26.21 54.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.623 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 75.86 61.93 2.77 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.943 -0.646 . . . . 0.0 113.651 179.04 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.457 ' CG2' ' HA ' ' A' ' 64' ' ' ALA . 0.0 OUTLIER -119.95 -85.18 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 O-C-N 122.829 -0.218 . . . . 0.0 111.155 179.925 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.544 ' O ' ' CB ' ' A' ' 71' ' ' SER . . . -179.14 -24.99 0.04 OUTLIER Glycine 0 CA--C 1.523 0.588 0 C-N-CA 119.557 -1.306 . . . . 0.0 114.655 -179.647 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.544 ' CB ' ' O ' ' A' ' 70' ' ' GLY . 53.9 p 113.17 -28.13 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 124.241 1.016 . . . . 0.0 109.64 -178.549 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -108.46 9.65 27.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.919 179.28 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -94.94 -160.31 33.85 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.541 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.439 ' C ' HD23 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -142.83 156.3 44.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.047 0.451 . . . . 0.0 111.696 -179.443 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.439 HD23 ' C ' ' A' ' 74' ' ' SER . 11.9 mt -116.32 138.93 50.92 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.531 179.476 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.402 ' OG1' ' HG2' ' A' ' 79' ' ' GLN . 2.8 p -87.59 169.06 12.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.789 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -55.35 -48.35 74.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.842 0.353 . . . . 0.0 110.965 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -58.76 -31.74 68.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.695 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.402 ' HG2' ' OG1' ' A' ' 76' ' ' THR . 23.3 mm-40 -72.37 -43.61 63.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.945 0.402 . . . . 0.0 110.108 179.318 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -50.46 -58.08 6.57 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.597 179.359 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.783 HG23 HD13 ' A' ' 9' ' ' LEU . 50.3 mt -54.61 -49.02 70.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.374 -179.796 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 7.4 mmm180 -57.16 -52.99 63.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.294 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.452 HG23 ' N ' ' A' ' 84' ' ' THR . 14.4 m -70.93 -43.42 76.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.751 0.31 . . . . 0.0 111.555 -179.625 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.452 ' N ' HG23 ' A' ' 83' ' ' VAL . 96.2 m -61.97 -45.45 93.6 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.056 0.455 . . . . 0.0 110.133 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -52.19 -49.01 64.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.648 -0.706 . . . . 0.0 111.218 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.424 ' O ' ' N ' ' A' ' 90' ' ' GLU . 2.6 m120 -59.87 -39.13 84.24 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.029 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.9 mt -58.9 -44.33 91.21 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.066 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 16.4 mt -71.81 -46.64 60.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.327 -179.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -89.13 -73.33 0.51 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.768 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 86' ' ' ASN . 0.3 OUTLIER -63.51 -167.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.621 179.792 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 39.3 mm-40 71.04 151.1 0.1 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.998 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -85.25 159.41 33.79 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.829 -0.7 . . . . 0.0 113.022 -179.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -56.49 -57.2 13.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.982 0.42 . . . . 0.0 111.003 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.15 -12.27 11.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.911 -0.586 . . . . 0.0 112.444 -179.652 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -73.65 -40.45 63.72 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.736 0.303 . . . . 0.0 111.092 -179.678 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.403 ' O ' ' HB3' ' A' ' 100' ' ' LEU . 0.1 OUTLIER -69.61 -41.86 75.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.011 0.434 . . . . 0.0 110.886 179.759 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -67.78 -36.03 79.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.809 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 2.4 ttt-85 -63.64 -66.1 0.59 Allowed 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 111.93 0.345 . . . . 0.0 111.93 -179.299 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.67 HG21 ' HB2' ' A' ' 62' ' ' TYR . 9.2 p -66.76 -39.57 83.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 112.726 0.639 . . . . 0.0 112.726 -177.824 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.403 ' HB3' ' O ' ' A' ' 96' ' ' PHE . 5.3 tp -88.25 -25.25 22.95 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.187 -0.605 . . . . 0.0 112.279 -177.792 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.453 ' N ' ' HD2' ' A' ' 102' ' ' PRO . . . -40.41 -58.34 2.49 Favored Glycine 0 CA--C 1.523 0.569 0 C-N-CA 120.909 -0.663 . . . . 0.0 113.115 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.453 ' HD2' ' N ' ' A' ' 101' ' ' GLY . 39.3 Cg_endo -66.59 -10.75 29.06 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.666 2.244 . . . . 0.0 112.6 179.596 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 45.8 t -79.74 -54.78 10.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.987 -179.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.615 ' O ' HG23 ' A' ' 108' ' ' VAL . 5.2 p -68.25 -36.95 77.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.616 0.722 . . . . 0.0 110.595 179.561 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.83 -59.26 4.85 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.677 -1.147 . . . . 0.0 111.387 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -45.31 -33.74 4.3 Favored Glycine 0 C--N 1.332 0.334 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.674 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.547 HD12 ' HA ' ' A' ' 104' ' ' VAL . 12.9 mt -77.1 -40.38 30.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 120.787 0.327 . . . . 0.0 111.529 -179.572 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.615 HG13 HD11 ' A' ' 119' ' ' ILE . 31.0 t -63.97 -29.05 46.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.691 -179.754 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -71.46 -30.43 66.79 Favored Glycine 0 CA--C 1.518 0.237 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.926 -179.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' MET . . . . . 0.4 ' HG2' ' HB2' ' A' ' 48' ' ' GLU . 1.5 mtp -78.69 -23.76 45.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.678 0.239 . . . . 0.0 111.275 -179.287 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . 0.427 ' HB3' ' CE2' ' A' ' 40' ' ' PHE . 19.0 p -101.04 -20.27 15.45 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 113.181 0.808 . . . . 0.0 113.181 -178.228 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . 0.569 ' OD2' HG12 ' A' ' 108' ' ' VAL . 0.6 OUTLIER -62.03 104.16 0.44 Allowed 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.327 -0.549 . . . . 0.0 110.807 -178.683 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.74 -20.65 25.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.03 179.307 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 53.9 p30 -107.03 2.72 25.26 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.434 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . 43.09 65.28 0.99 Allowed 'General case' 0 N--CA 1.461 0.101 0 N-CA-C 111.789 0.292 . . . . 0.0 111.789 179.555 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 55.4 p30 -123.9 -8.77 7.78 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.667 179.44 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 79.45 8.54 87.69 Favored Glycine 0 C--N 1.333 0.395 0 C-N-CA 120.785 -0.721 . . . . 0.0 113.116 179.582 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -121.96 167.18 13.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.977 0.417 . . . . 0.0 111.545 -179.585 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.615 HD11 HG13 ' A' ' 108' ' ' VAL . 42.1 mm -111.0 100.24 10.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.196 -179.434 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . 0.432 ' O ' ' N ' ' A' ' 123' ' ' GLU . 18.4 p30 -87.63 156.58 19.41 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 178.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -44.7 -36.41 3.13 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 111.852 0.316 . . . . 0.0 111.852 -178.656 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -71.47 -30.84 66.47 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.626 0.25 . . . . 0.0 110.365 179.324 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 120' ' ' ASN . 49.0 mt-10 -77.66 -48.92 15.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.264 179.028 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . 0.504 ' CD1' HG21 ' A' ' 119' ' ' ILE . 0.6 OUTLIER -56.57 -50.88 70.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.709 -179.466 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -54.79 -42.89 72.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.4 -179.444 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -54.89 -31.97 60.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.993 -179.436 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 12.2 t90 -88.73 -36.63 16.04 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 111.696 0.258 . . . . 0.0 111.696 -178.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.507 HD13 ' HA ' ' A' ' 138' ' ' ALA . 0.2 OUTLIER -61.9 -41.61 98.1 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.965 0.412 . . . . 0.0 110.537 179.919 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . 0.422 ' HA ' ' O ' ' A' ' 133' ' ' MET . 73.0 p -71.77 -24.11 61.7 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.904 178.687 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -66.47 -38.41 87.25 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.399 179.68 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 18.1 mt -85.91 -2.72 58.54 Favored 'General case' 0 N--CA 1.463 0.188 0 N-CA-C 112.645 0.609 . . . . 0.0 112.645 -178.221 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 108.95 25.35 5.67 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 119.92 -1.133 . . . . 0.0 113.57 179.177 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' MET . . . . . 0.422 ' O ' ' HA ' ' A' ' 129' ' ' THR . 1.7 mmt -102.14 152.98 20.36 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 117.062 0.431 . . . . 0.0 109.954 179.123 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -82.21 160.75 22.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.845 0.355 . . . . 0.0 111.092 -179.773 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.04 -28.74 69.81 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.557 -179.384 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -74.1 -23.88 59.38 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.114 179.65 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -74.74 -41.46 60.08 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.586 -179.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . 0.507 ' HA ' HD13 ' A' ' 128' ' ' LEU . . . -59.18 -58.02 10.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.825 0.345 . . . . 0.0 110.967 -179.673 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -49.39 -43.29 44.13 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.111 179.612 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.67 -48.78 58.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.389 -179.491 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . 0.717 ' O ' HG23 ' A' ' 145' ' ' VAL . . . -64.66 -34.13 77.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.762 -179.228 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -58.57 -59.71 4.96 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.21 0.529 . . . . 0.0 110.8 179.651 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -56.8 -35.3 68.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.445 -0.798 . . . . 0.0 112.987 -178.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 144' ' ' GLN . . . . . 0.448 ' HG2' ' HA ' ' A' ' 141' ' ' ALA . 6.8 pt20 -69.2 -28.59 66.51 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 111.846 0.313 . . . . 0.0 111.846 -178.764 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . 0.717 HG23 ' O ' ' A' ' 141' ' ' ALA . 33.5 t -84.09 -32.73 8.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -178.631 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.89 78.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.154 0.502 . . . . 0.0 111.297 -179.321 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 147' ' ' THR . . . . . 0.449 ' N ' ' O ' ' A' ' 145' ' ' VAL . 33.3 m -57.5 -35.25 69.97 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.51 -0.768 . . . . 0.0 112.336 179.764 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 25.6 p-10 -95.19 4.99 53.0 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.231 0.456 . . . . 0.0 112.231 -178.283 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 40.78 38.39 1.58 Allowed Glycine 0 C--N 1.334 0.46 0 C-N-CA 121.052 -0.594 . . . . 0.0 113.275 179.551 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 31.5 p-10 -94.45 -6.59 43.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.546 0.212 . . . . 0.0 111.472 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 89.31 4.09 74.53 Favored Glycine 0 C--N 1.333 0.416 0 C-N-CA 120.761 -0.733 . . . . 0.0 113.501 178.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 83.7 mt-10 -134.59 135.54 42.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 117.344 0.572 . . . . 0.0 111.143 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 0.407 ' HB2' ' O ' ' A' ' 119' ' ' ILE . 36.0 mt -103.41 102.65 12.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.921 178.755 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.76 168.47 12.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.982 0.42 . . . . 0.0 111.594 -179.138 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 155' ' ' LEU . . . . . 0.438 ' O ' ' HG ' ' A' ' 159' ' ' LEU . 0.6 OUTLIER -48.08 -43.72 30.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.916 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -56.18 -55.75 29.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.627 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -62.75 -19.85 64.37 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.016 -0.538 . . . . 0.0 112.222 -178.67 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 158' ' ' LEU . . . . . 0.538 HD11 HG13 ' A' ' 119' ' ' ILE . 5.6 mt -76.29 -62.52 1.58 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.797 179.059 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 0.514 ' N ' HD23 ' A' ' 159' ' ' LEU . 0.9 OUTLIER . . . . . 0 N--CA 1.469 0.525 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.427 -179.127 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 27.3 mm . . . . . 0 N--CA 1.457 -0.121 0 CA-C-O 121.106 0.479 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.39 -37.14 86.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.772 -179.36 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.1 t -58.08 -57.67 11.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.34 -179.534 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -49.07 -49.76 40.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.843 -179.614 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.79 -46.28 91.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.712 -178.733 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.644 HD13 HG23 ' A' ' 81' ' ' ILE . 2.5 mt -77.21 -30.38 54.64 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 111.952 0.353 . . . . 0.0 111.952 -178.754 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.77 -47.11 87.78 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.665 0.269 . . . . 0.0 111.454 -179.394 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.1 mttp -65.2 -46.47 80.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.793 -179.629 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.38 -26.26 1.99 Allowed 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 121.016 0.436 . . . . 0.0 110.833 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 43.1 t80 -71.43 -65.75 0.71 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.806 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -70.18 -21.15 63.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.214 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -73.57 -15.23 61.29 Favored 'General case' 0 N--CA 1.465 0.275 0 N-CA-C 111.737 0.273 . . . . 0.0 111.737 -179.713 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 11.6 m95 -115.65 18.08 15.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.77 0.319 . . . . 0.0 110.975 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.71 82.15 5.86 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-O 121.088 0.47 . . . . 0.0 110.71 179.593 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.453 ' CZ ' ' HB3' ' A' ' 31' ' ' LYS . 0.2 OUTLIER -53.11 -50.66 64.01 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.456 -179.308 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -99.65 -12.82 19.7 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 111.922 0.342 . . . . 0.0 111.922 -179.528 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 74.15 45.95 23.51 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.229 -0.986 . . . . 0.0 112.098 -179.51 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 18.1 p-10 -92.73 -9.66 39.87 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 111.694 0.257 . . . . 0.0 111.694 -179.663 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 83.85 21.44 57.6 Favored Glycine 0 C--N 1.332 0.316 0 C-N-CA 120.472 -0.87 . . . . 0.0 112.933 179.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -157.13 179.72 9.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.61 0.243 . . . . 0.0 110.705 179.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.428 ' O ' HD12 ' A' ' 75' ' ' LEU . 7.2 mt -118.32 119.73 35.51 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.803 0.335 . . . . 0.0 110.603 179.245 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -116.32 170.25 8.68 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.995 0.426 . . . . 0.0 110.373 179.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -69.34 -37.96 77.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.57 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.05 -19.92 35.2 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.13 179.632 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.409 ' OD1' ' HB2' ' A' ' 18' ' ' PHE . 4.7 m-20 -72.03 -27.03 62.44 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.498 179.749 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.879 ' CE2' HD12 ' A' ' 59' ' ' LEU . 7.1 m-85 -76.82 -39.44 51.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.805 0.336 . . . . 0.0 110.727 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -63.5 -40.78 97.98 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.369 179.655 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.453 ' HB3' ' CZ ' ' A' ' 18' ' ' PHE . 0.0 OUTLIER -67.01 -45.46 77.47 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.939 0.4 . . . . 0.0 110.044 179.33 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.402 ' O ' HG13 ' A' ' 36' ' ' ILE . 0.9 OUTLIER -51.8 -59.47 4.27 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 178.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -43.47 -50.85 6.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.082 178.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -62.97 -49.68 73.76 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.457 179.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -54.95 -23.92 21.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.538 179.797 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.402 HG13 ' O ' ' A' ' 32' ' ' GLU . 75.6 mt -83.5 -53.79 10.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.663 179.701 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.646 ' HB2' HG13 ' A' ' 49' ' ' VAL . . . -45.54 -42.27 10.71 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.884 0.373 . . . . 0.0 111.449 179.53 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -61.54 -39.35 90.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.149 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -58.25 -24.25 58.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.809 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 -92.47 3.72 54.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.466 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 67.41 11.75 60.01 Favored Glycine 0 C--N 1.333 0.371 0 C-N-CA 120.864 -0.684 . . . . 0.0 113.087 179.615 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -89.1 162.61 15.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.862 0.331 . . . . 0.0 110.61 179.723 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.551 ' O ' HG21 ' A' ' 49' ' ' VAL . 2.2 m-20 -72.63 131.15 42.06 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.284 -179.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.32 -14.74 63.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.246 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -103.65 14.47 53.53 Favored Glycine 0 C--N 1.332 0.326 0 C-N-CA 120.518 -0.849 . . . . 0.0 113.415 -179.277 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.603 ' HB3' HG23 ' A' ' 49' ' ' VAL . . . -71.03 -168.41 0.28 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.765 0.316 . . . . 0.0 110.827 179.135 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -91.55 -46.7 7.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.673 179.438 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.426 ' HG2' ' HG3' ' A' ' 110' ' ' MET . 0.0 OUTLIER -60.08 -27.34 66.91 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.039 -0.528 . . . . 0.0 112.135 -179.149 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.646 HG13 ' HB2' ' A' ' 37' ' ' ALA . 1.6 t -77.05 -41.88 31.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 C-N-CA 120.704 -0.398 . . . . 0.0 110.162 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.428 ' HG3' ' O ' ' A' ' 46' ' ' ALA . 0.3 OUTLIER -61.54 -41.52 97.46 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 178.788 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 95.0 m -56.87 -58.07 9.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.374 179.302 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 11.0 tp -49.79 -58.73 4.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.419 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -49.94 -40.89 45.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.714 0.292 . . . . 0.0 110.422 179.557 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -56.56 -42.73 79.05 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.652 179.643 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.71 -53.56 17.92 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.019 0.438 . . . . 0.0 110.674 179.074 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -47.77 -31.54 4.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.927 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -63.7 -50.41 61.72 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.368 179.534 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -61.23 -28.78 69.74 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.978 -0.629 . . . . 0.0 112.775 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.879 HD12 ' CE2' ' A' ' 29' ' ' PHE . 3.4 tm? -58.97 -40.44 84.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.596 0.198 . . . . 0.0 111.213 -179.569 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -59.88 -39.24 84.65 Favored 'General case' 0 C--N 1.333 -0.11 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 179.038 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -42.55 -44.8 4.29 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 121.14 0.495 . . . . 0.0 110.942 179.18 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.468 ' CE2' ' OE2' ' A' ' 66' ' ' GLU . 40.3 t80 -59.93 -38.66 83.05 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.952 179.788 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.404 ' HB3' HD21 ' A' ' 75' ' ' LEU . 33.0 mt -65.81 -58.31 5.91 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.344 -179.463 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.408 ' O ' ' N ' ' A' ' 68' ' ' GLY . . . -55.74 -43.72 76.9 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.675 0.274 . . . . 0.0 111.46 -179.489 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.35 -56.64 10.13 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.17 0.509 . . . . 0.0 110.741 179.747 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.468 ' OE2' ' CE2' ' A' ' 62' ' ' TYR . 0.5 OUTLIER -60.5 -42.5 96.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.546 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -75.31 -27.82 59.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.04 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 64' ' ' ALA . . . 78.01 51.89 5.59 Favored Glycine 0 N--CA 1.45 -0.384 0 CA-C-N 115.71 -0.677 . . . . 0.0 113.261 179.106 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.48 HG12 ' HA3' ' A' ' 73' ' ' GLY . 49.1 t -122.59 -79.29 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.561 0.22 . . . . 0.0 111.298 -179.705 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 164.71 159.98 11.76 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.57 -0.824 . . . . 0.0 112.37 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.83 -20.35 63.56 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.6 0.238 . . . . 0.0 111.077 179.072 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -115.02 12.04 16.62 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.74 -179.726 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.48 ' HA3' HG12 ' A' ' 69' ' ' VAL . . . -94.58 -165.2 35.98 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.297 -0.954 . . . . 0.0 113.102 -179.5 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -142.22 154.69 44.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.953 0.406 . . . . 0.0 111.199 -179.521 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.46 HD12 ' N ' ' A' ' 75' ' ' LEU . 0.6 OUTLIER -116.79 138.82 51.22 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.711 178.905 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 15.7 p -83.16 -170.87 3.25 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.731 0.301 . . . . 0.0 110.861 -179.559 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -75.82 -52.79 9.62 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.097 0.475 . . . . 0.0 110.699 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -56.31 -31.86 64.09 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.793 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.692 ' O ' HG23 ' A' ' 83' ' ' VAL . 2.4 mm100 -71.61 -46.07 60.26 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.014 0.435 . . . . 0.0 110.689 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.408 ' CE2' HD23 ' A' ' 9' ' ' LEU . 24.6 t80 -50.64 -54.76 20.36 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.069 179.525 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.644 HG23 HD13 ' A' ' 9' ' ' LEU . 5.5 mt -54.85 -57.4 6.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.58 -0.736 . . . . 0.0 112.027 -179.463 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -52.25 -53.39 44.46 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.821 0.343 . . . . 0.0 111.197 -179.119 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.692 HG23 ' O ' ' A' ' 79' ' ' GLN . 4.2 t -67.82 -43.42 86.2 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.226 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.43 -179.429 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 97.3 m -61.59 -43.48 98.78 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 179.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -47.84 -50.13 27.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.014 179.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -61.15 -35.75 77.92 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.044 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.72 -49.18 78.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.953 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 21.5 mm -75.04 -36.86 39.52 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-O 120.902 0.382 . . . . 0.0 111.091 179.563 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -88.9 -83.36 0.23 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.213 179.707 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.408 ' O ' ' HB2' ' A' ' 91' ' ' GLN . 0.0 OUTLIER -61.0 -155.67 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.504 179.656 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.408 ' HB2' ' O ' ' A' ' 90' ' ' GLU . 71.5 mm-40 66.83 150.94 0.06 Allowed 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.528 -179.774 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -85.77 155.07 28.76 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.613 -0.803 . . . . 0.0 113.636 -178.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -51.77 -57.19 9.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.207 0.527 . . . . 0.0 110.207 179.559 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.83 -12.76 18.96 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.92 179.519 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . 0.454 ' O ' HG12 ' A' ' 99' ' ' VAL . 1.5 t -72.42 -42.33 65.24 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.864 0.364 . . . . 0.0 110.61 -179.762 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.694 ' CE1' HD22 ' A' ' 100' ' ' LEU . 1.0 OUTLIER -67.62 -44.32 78.29 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.92 179.501 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -67.32 -38.8 85.52 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.437 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 37.1 mtt180 -63.58 -61.69 2.16 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.585 -179.148 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.454 HG12 ' O ' ' A' ' 95' ' ' SER . 9.3 p -71.26 -39.38 72.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 N-CA-C 112.472 0.545 . . . . 0.0 112.472 -177.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.694 HD22 ' CE1' ' A' ' 96' ' ' PHE . 2.6 tp -85.9 -26.32 25.66 Favored 'General case' 0 C--N 1.32 -0.706 0 C-N-CA 119.923 -0.711 . . . . 0.0 111.575 -177.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.445 ' N ' ' HD2' ' A' ' 102' ' ' PRO . . . -40.32 -56.98 2.74 Favored Glycine 0 CA--C 1.522 0.521 0 C-N-CA 120.999 -0.619 . . . . 0.0 112.818 179.354 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.445 ' HD2' ' N ' ' A' ' 101' ' ' GLY . 60.0 Cg_endo -69.18 -11.46 31.65 Favored 'Trans proline' 0 CA--C 1.53 0.3 0 C-N-CA 122.549 2.166 . . . . 0.0 112.72 179.594 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 89.7 t -79.66 -54.9 10.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.793 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.636 ' O ' HG23 ' A' ' 108' ' ' VAL . 94.0 t -68.19 -32.52 56.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 121.158 0.504 . . . . 0.0 110.239 178.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.436 ' HG3' ' O ' ' A' ' 101' ' ' GLY . 9.6 mttm -55.31 -52.28 63.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.58 179.414 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -48.96 -37.36 22.19 Favored Glycine 0 N--CA 1.451 -0.363 0 CA-C-N 115.872 -0.604 . . . . 0.0 112.569 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.87 HG21 ' CZ2' ' A' ' 127' ' ' TRP . 18.7 mm -72.64 -39.11 60.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.714 0.292 . . . . 0.0 110.98 179.641 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.636 HG23 ' O ' ' A' ' 104' ' ' VAL . 12.8 t -64.79 -36.85 78.65 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.228 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -63.19 -38.35 96.37 Favored Glycine 0 C--N 1.33 0.234 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.871 -179.395 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' MET . . . . . 0.426 ' HG3' ' HG2' ' A' ' 48' ' ' GLU . 45.9 mtp -78.53 -24.56 45.65 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.649 0.261 . . . . 0.0 110.654 -179.799 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 42.2 t -98.31 -25.02 14.98 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 113.104 0.779 . . . . 0.0 113.104 -178.053 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . 0.544 ' CG ' HG12 ' A' ' 108' ' ' VAL . 21.7 m-20 -61.35 103.37 0.3 Allowed 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.274 -0.57 . . . . 0.0 110.853 -177.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.09 -20.92 26.41 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.978 179.516 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 20.0 p30 -106.56 -2.0 22.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.517 -0.311 . . . . 0.0 111.317 179.601 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . 49.51 57.24 6.72 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 111.679 0.251 . . . . 0.0 111.679 179.603 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 38.6 p-10 -116.25 -7.91 11.75 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.965 -0.294 . . . . 0.0 111.36 178.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 79.29 9.64 86.79 Favored Glycine 0 C--N 1.336 0.574 0 C-N-CA 120.861 -0.685 . . . . 0.0 113.159 179.401 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 30.6 mt-30 -124.2 168.65 12.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.891 0.376 . . . . 0.0 111.16 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.718 HG13 HD11 ' A' ' 158' ' ' LEU . 27.9 mm -108.5 100.88 11.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.819 -179.396 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -83.51 159.95 21.59 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 179.193 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -52.13 -37.53 54.61 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.92 -0.312 . . . . 0.0 111.197 -178.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -72.16 -23.47 61.29 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 178.631 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -83.12 -49.87 9.05 Favored 'General case' 0 C--O 1.232 0.159 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 178.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . 0.531 ' CE2' HD11 ' A' ' 128' ' ' LEU . 4.3 t80 -56.29 -49.75 73.35 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.792 179.773 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.692 ' O ' HG23 ' A' ' 129' ' ' THR . . . -57.55 -43.59 84.56 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.092 179.784 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -57.85 -37.12 73.31 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.933 -179.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' TRP . . . . . 0.87 ' CZ2' HG21 ' A' ' 107' ' ' ILE . 13.3 t90 -82.51 -42.31 18.58 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 111.816 0.302 . . . . 0.0 111.816 -178.66 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.541 HD12 ' HA ' ' A' ' 138' ' ' ALA . 31.8 mt -59.18 -38.32 79.52 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.935 0.398 . . . . 0.0 110.548 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . 0.692 HG23 ' O ' ' A' ' 125' ' ' ALA . 49.9 p -70.32 -24.85 63.07 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.113 179.467 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -66.57 -37.99 86.12 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.739 179.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 31.5 mt -84.15 1.63 43.45 Favored 'General case' 0 N--CA 1.463 0.198 0 N-CA-C 112.908 0.707 . . . . 0.0 112.908 -177.511 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 105.12 19.95 10.23 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 119.924 -1.131 . . . . 0.0 113.681 178.674 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' MET . . . . . . . . . . . . . 4.8 mmt -96.87 155.89 16.58 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 178.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.56 172.12 14.16 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.092 0.472 . . . . 0.0 111.737 -179.015 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 4.4 mttm -77.63 -26.74 50.78 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.856 -179.447 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -81.13 -29.69 34.71 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 111.896 0.332 . . . . 0.0 111.896 -179.542 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.26 -38.62 71.86 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.397 -179.419 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . 0.541 ' HA ' HD12 ' A' ' 128' ' ' LEU . . . -59.73 -54.57 44.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.819 0.342 . . . . 0.0 110.617 -179.817 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -47.32 -44.16 23.4 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.953 179.604 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -70.88 -44.66 65.85 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.149 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . 0.402 ' O ' HG23 ' A' ' 145' ' ' VAL . . . -63.83 -39.94 95.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.841 -0.618 . . . . 0.0 112.025 -179.134 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 142' ' ' PHE . . . . . 0.468 ' CE1' ' HG ' ' A' ' 153' ' ' LEU . 76.0 t80 -54.59 -58.37 7.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.919 0.39 . . . . 0.0 110.655 179.437 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -56.56 -33.69 66.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.823 -179.69 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -65.55 -36.96 85.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.056 -0.52 . . . . 0.0 112.284 -178.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . 0.491 ' O ' ' N ' ' A' ' 147' ' ' THR . 33.3 t -82.57 -28.74 8.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -178.129 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -61.26 77.79 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.266 0 CA-C-O 121.325 0.583 . . . . 0.0 111.022 -179.276 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 147' ' ' THR . . . . . 0.491 ' N ' ' O ' ' A' ' 145' ' ' VAL . 90.0 m -56.39 -38.16 71.1 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.346 -0.843 . . . . 0.0 112.368 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 54.3 p30 -92.66 6.72 46.37 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.805 -178.584 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 39.0 36.43 0.49 Allowed Glycine 0 C--N 1.336 0.552 0 C-N-CA 121.317 -0.468 . . . . 0.0 113.643 179.242 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 48.2 p-10 -93.63 -4.36 50.88 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.638 0.256 . . . . 0.0 111.337 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 89.65 3.0 75.02 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.51 -0.852 . . . . 0.0 113.268 179.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -132.39 133.57 44.08 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 117.471 0.635 . . . . 0.0 110.225 179.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 0.468 ' HG ' ' CE1' ' A' ' 142' ' ' PHE . 24.8 mt -98.22 105.53 17.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.601 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 3.8 t -91.06 163.19 14.39 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.312 0.577 . . . . 0.0 112.514 -178.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 155' ' ' LEU . . . . . 0.686 HD13 HD21 ' A' ' 159' ' ' LEU . 0.2 OUTLIER -48.88 -43.38 38.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.179 -0.919 . . . . 0.0 111.361 179.768 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -56.67 -59.53 4.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.347 -179.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -64.05 -18.05 63.97 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.983 -179.068 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 158' ' ' LEU . . . . . 0.718 HD11 HG13 ' A' ' 119' ' ' ILE . 0.2 OUTLIER -70.56 -53.71 14.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.028 179.79 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 0.686 HD21 HD13 ' A' ' 155' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.017 -179.38 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.404 ' O ' ' HD2' ' A' ' 8' ' ' ARG . 13.1 mt . . . . . 0 N--CA 1.457 -0.102 0 CA-C-O 121.033 0.444 . . . . 0.0 111.037 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.43 ' O ' HD12 ' A' ' 9' ' ' LEU . . . -63.62 -38.12 89.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.796 -0.638 . . . . 0.0 112.253 -179.258 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.6 m -60.94 -56.0 26.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.741 0.305 . . . . 0.0 111.109 -179.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.94 -49.92 37.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.495 -179.509 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.404 ' HD2' ' O ' ' A' ' 4' ' ' ILE . 0.0 OUTLIER -62.26 -43.27 99.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.436 -179.044 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.472 HD22 ' HA ' ' A' ' 81' ' ' ILE . 0.5 OUTLIER -77.34 -32.91 55.5 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 111.872 0.323 . . . . 0.0 111.872 -178.878 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.68 -63.72 1.17 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.928 0.394 . . . . 0.0 111.081 -179.796 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.425 ' O ' ' HB2' ' A' ' 15' ' ' ARG . 0.2 OUTLIER -50.17 -47.49 54.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.218 -179.646 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.29 -29.78 4.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.785 0.326 . . . . 0.0 111.337 -179.745 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -73.12 -63.85 1.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.708 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 -68.82 -12.6 61.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.092 179.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.425 ' HB2' ' O ' ' A' ' 11' ' ' LYS . 0.1 OUTLIER -71.4 -18.22 62.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.566 0.222 . . . . 0.0 111.178 -179.537 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 3.0 m95 -103.75 -91.66 0.36 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.647 -0.251 . . . . 0.0 111.095 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 41.68 75.84 0.08 Allowed 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 121.084 0.468 . . . . 0.0 111.465 -179.784 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.487 ' CE1' ' HB3' ' A' ' 31' ' ' LYS . 1.2 m-85 -54.46 -50.87 66.68 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.557 -179.05 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 22.3 p-10 -98.5 -12.3 21.41 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 -179.285 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 78.09 40.27 21.13 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.444 -0.884 . . . . 0.0 112.554 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.0 p-10 -89.66 -12.39 39.72 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.723 0.261 . . . . 0.0 111.387 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 84.17 22.32 54.95 Favored Glycine 0 C--N 1.332 0.348 0 C-N-CA 120.627 -0.797 . . . . 0.0 112.687 179.529 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -155.37 178.92 9.67 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.713 0.292 . . . . 0.0 110.403 179.685 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.418 HD12 ' HA ' ' A' ' 24' ' ' LEU . 12.7 tp -117.44 128.12 54.69 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.66 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 71.9 mt-10 -126.89 172.79 10.12 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.367 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.81 -33.42 74.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.806 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.01 -21.29 66.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.948 179.442 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.16 -28.99 63.59 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.088 179.465 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -78.59 -36.14 44.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.339 179.514 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -66.33 -38.74 88.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.663 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.487 ' HB3' ' CE1' ' A' ' 18' ' ' PHE . 4.9 mttm -67.44 -43.62 80.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.907 0.384 . . . . 0.0 110.544 179.656 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.4 ' O ' HG13 ' A' ' 36' ' ' ILE . 2.9 tt0 -49.06 -64.92 0.67 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.138 179.744 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -43.6 -46.55 7.25 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.202 0.525 . . . . 0.0 110.858 179.082 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -64.24 -54.79 27.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.786 179.615 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -52.51 -34.36 49.32 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.791 0.329 . . . . 0.0 110.518 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.4 HG13 ' O ' ' A' ' 32' ' ' GLU . 84.3 mt -71.14 -55.51 13.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.576 179.358 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -42.56 -42.23 3.3 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.725 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -58.6 -40.9 84.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.553 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.608 ' HB1' ' O ' ' A' ' 130' ' ' ALA . . . -57.04 -21.47 31.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.397 -179.542 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.401 ' CZ ' ' HA ' ' A' ' 127' ' ' TRP . 26.3 m-85 -92.63 1.8 57.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.68 -0.236 . . . . 0.0 111.375 179.651 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 53.54 19.64 9.77 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.826 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.7 tttt -92.55 -152.52 0.32 Allowed 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 179.564 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.43 ' HB2' ' HB2' ' A' ' 46' ' ' ALA . 8.3 m-20 -69.18 -166.97 0.1 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.074 0.464 . . . . 0.0 111.886 -178.578 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.89 ' O ' HG11 ' A' ' 49' ' ' VAL . . . -140.21 -59.25 0.54 Allowed 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 178.386 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -92.87 27.04 11.78 Favored Glycine 0 N--CA 1.45 -0.404 0 CA-C-N 114.905 -1.043 . . . . 0.0 111.969 179.54 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.43 ' HB2' ' HB2' ' A' ' 43' ' ' ASP . . . -68.25 -166.15 0.06 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.828 0.347 . . . . 0.0 110.943 179.092 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -89.52 -47.99 7.61 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.034 179.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -57.5 -28.33 63.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.447 -179.129 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.89 HG11 ' O ' ' A' ' 44' ' ' ALA . 7.3 p -77.32 -42.24 30.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.691 179.732 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.42 ' O ' ' HB2' ' A' ' 54' ' ' ASN . 1.0 OUTLIER -61.4 -42.91 99.47 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 178.713 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 15.7 m -58.57 -54.99 40.86 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.947 -0.569 . . . . 0.0 109.746 178.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 11.2 tp -50.8 -62.49 1.57 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.192 179.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.48 -42.0 61.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.716 179.52 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.42 ' HB2' ' O ' ' A' ' 50' ' ' GLN . 6.5 t-20 -56.39 -41.4 76.22 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.925 0.393 . . . . 0.0 110.174 179.808 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.42 -32.51 72.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.046 179.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -67.11 -31.86 72.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.82 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -64.75 -48.06 76.49 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.185 179.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -58.69 -34.96 79.25 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.623 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.573 HD12 HG12 ' A' ' 99' ' ' VAL . 2.9 tp -56.28 -32.34 64.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.892 0.377 . . . . 0.0 110.023 179.775 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -63.02 -44.76 95.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.398 179.167 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -43.16 -50.62 6.26 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.525 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -58.35 -41.34 84.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.12 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.567 ' HB3' HD21 ' A' ' 75' ' ' LEU . 23.3 mt -64.8 -57.57 8.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.188 -179.413 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.608 ' HB1' ' O ' ' A' ' 69' ' ' VAL . . . -54.18 -45.44 72.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.574 179.779 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 9.9 tttp -65.72 -51.72 56.99 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.856 0.36 . . . . 0.0 110.969 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -62.53 -40.61 97.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.112 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -77.13 -26.82 53.56 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.804 0.335 . . . . 0.0 111.601 -179.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 103.62 0.24 46.21 Favored Glycine 0 CA--C 1.52 0.35 0 C-N-CA 120.525 -0.845 . . . . 0.0 114.154 178.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.608 ' O ' ' HB1' ' A' ' 64' ' ' ALA . 26.9 m -101.44 174.09 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 117.277 0.538 . . . . 0.0 110.067 179.345 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -86.73 179.27 48.87 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.689 -0.767 . . . . 0.0 113.845 -178.479 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 16.2 m -65.12 -13.07 57.18 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.249 -0.476 . . . . 0.0 110.962 178.158 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -113.02 12.58 19.27 Favored 'General case' 0 N--CA 1.462 0.146 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 -179.401 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -93.21 -164.53 37.49 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.344 -0.931 . . . . 0.0 112.307 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -141.58 154.41 45.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.155 0.502 . . . . 0.0 111.804 -179.232 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.567 HD21 ' HB3' ' A' ' 63' ' ' LEU . 3.4 mp -116.04 138.74 50.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.357 179.559 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 6.7 p -86.65 -173.82 4.68 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.676 179.64 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -72.65 -48.74 36.81 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.991 0.424 . . . . 0.0 110.742 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -58.04 -32.77 68.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.878 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -72.46 -43.12 64.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.978 0.418 . . . . 0.0 110.255 179.389 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -49.96 -55.7 13.55 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.727 179.479 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.472 ' HA ' HD22 ' A' ' 9' ' ' LEU . 71.9 mt -54.54 -52.13 43.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.312 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.15 -55.32 32.53 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.011 -0.541 . . . . 0.0 112.007 -178.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 11.9 t -71.74 -40.96 70.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 N-CA-C 111.752 0.279 . . . . 0.0 111.752 -179.258 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 94.6 m -62.27 -45.09 94.84 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.937 0.398 . . . . 0.0 110.48 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -50.96 -49.14 60.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.296 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 29.0 m-80 -59.06 -37.54 77.27 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.137 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.9 mt -59.69 -45.46 92.03 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.218 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 16.8 mm -73.11 -42.47 58.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.444 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -89.95 -75.0 0.46 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.775 0.321 . . . . 0.0 111.184 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.407 ' O ' ' HB2' ' A' ' 91' ' ' GLN . 21.3 mm-40 -64.1 -161.97 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.019 -179.752 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.407 ' HB2' ' O ' ' A' ' 90' ' ' GLU . 0.6 OUTLIER 71.07 -83.48 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.396 -179.617 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 127.55 172.27 13.21 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.253 -0.975 . . . . 0.0 113.04 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -55.31 -58.84 6.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.124 0.487 . . . . 0.0 111.032 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.433 ' O ' ' HB2' ' A' ' 98' ' ' ARG . . . -59.78 -16.86 31.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.562 -0.745 . . . . 0.0 112.209 -179.326 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . 0.407 ' HB2' ' HB3' ' A' ' 91' ' ' GLN . 60.5 m -79.63 -44.94 20.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.974 0.416 . . . . 0.0 110.806 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.415 ' CE1' HD22 ' A' ' 100' ' ' LEU . 0.2 OUTLIER -71.31 -38.79 71.72 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.139 179.945 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -68.8 -35.2 76.72 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.9 -0.591 . . . . 0.0 112.016 -179.6 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.433 ' HB2' ' O ' ' A' ' 94' ' ' ALA . 0.3 OUTLIER -63.05 -66.81 0.49 Allowed 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.064 0.394 . . . . 0.0 112.064 -179.045 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.573 HG12 HD12 ' A' ' 59' ' ' LEU . 46.7 t -69.2 -35.88 70.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 112.683 0.623 . . . . 0.0 112.683 -178.071 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.415 HD22 ' CE1' ' A' ' 96' ' ' PHE . 8.3 tp -89.1 -26.47 21.34 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 119.815 -0.754 . . . . 0.0 111.948 -178.166 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.479 ' N ' ' HD2' ' A' ' 102' ' ' PRO . . . -42.25 -53.83 4.77 Favored Glycine 0 CA--C 1.522 0.51 0 C-N-CA 120.926 -0.654 . . . . 0.0 112.987 179.488 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.479 ' HD2' ' N ' ' A' ' 101' ' ' GLY . 57.1 Cg_endo -70.52 -14.02 33.28 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.649 2.233 . . . . 0.0 112.081 179.596 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.512 HG21 HD13 ' A' ' 59' ' ' LEU . 41.4 t -78.39 -49.32 21.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.724 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.637 ' CG1' HD22 ' A' ' 158' ' ' LEU . 10.4 t -70.54 -31.99 48.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.174 0.511 . . . . 0.0 110.3 179.305 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.24 -50.59 72.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.763 179.264 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -51.35 -39.99 44.87 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.246 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 24.4 mt -72.76 -41.0 61.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.761 0.315 . . . . 0.0 111.058 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.664 HG13 HD11 ' A' ' 119' ' ' ILE . 76.0 t -63.08 -36.18 74.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.119 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -51.79 -46.65 54.4 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.354 -0.927 . . . . 0.0 112.293 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 23.3 mtm -78.14 -19.4 54.1 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.455 0.169 . . . . 0.0 111.402 -179.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 34.9 t -92.6 44.72 1.16 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.866 0.365 . . . . 0.0 111.713 -178.556 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 54.5 t0 -165.98 108.64 0.77 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.687 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 3.0 mtmt -93.07 -4.33 52.61 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 115.527 -0.76 . . . . 0.0 111.196 178.41 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . 0.447 ' O ' ' HB3' ' A' ' 115' ' ' ALA . 0.8 OUTLIER -102.73 -17.68 15.51 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-O 120.706 0.289 . . . . 0.0 110.929 179.593 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.447 ' HB3' ' O ' ' A' ' 114' ' ' ASN . . . 68.68 62.94 0.33 Allowed 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 112.265 0.469 . . . . 0.0 112.265 178.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -119.82 -13.8 9.04 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 121.019 -0.272 . . . . 0.0 111.613 179.43 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 80.54 9.41 86.48 Favored Glycine 0 CA--C 1.519 0.298 0 C-N-CA 120.714 -0.755 . . . . 0.0 113.112 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 15.0 mm-40 -122.92 164.32 18.7 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-O 121.092 0.472 . . . . 0.0 111.459 -179.714 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.664 HD11 HG13 ' A' ' 108' ' ' VAL . 19.7 mm -109.89 100.9 11.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.15 -179.481 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . 0.414 ' O ' ' N ' ' A' ' 123' ' ' GLU . 6.5 m120 -86.73 157.51 19.62 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 110.106 -0.331 . . . . 0.0 110.106 179.436 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -47.87 -38.69 16.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.672 -179.032 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -70.48 -26.75 63.76 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 179.23 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 120' ' ' ASN . 20.7 mt-10 -85.76 -47.53 9.66 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 178.62 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -54.82 -51.43 65.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.811 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.412 ' HA ' ' HB1' ' A' ' 138' ' ' ALA . . . -58.48 -40.47 82.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.816 179.723 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -54.83 -33.34 61.57 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.297 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' TRP . . . . . 0.401 ' HA ' ' CZ ' ' A' ' 40' ' ' PHE . 18.6 t90 -88.18 -36.91 16.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.642 -0.254 . . . . 0.0 111.547 -178.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.28 -42.0 98.96 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.072 0.463 . . . . 0.0 110.156 179.806 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . 0.416 ' HA ' ' O ' ' A' ' 133' ' ' MET . 70.8 p -72.35 -22.62 61.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.296 178.686 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . 0.608 ' O ' ' HB1' ' A' ' 39' ' ' ALA . . . -67.84 -38.47 83.22 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.315 179.601 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 9.4 mt -85.54 -0.19 54.28 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 112.524 0.565 . . . . 0.0 112.524 -178.235 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 108.59 22.53 6.99 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 119.93 -1.129 . . . . 0.0 113.921 179.09 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' MET . . . . . 0.416 ' O ' ' HA ' ' A' ' 129' ' ' THR . 8.0 mmt -99.17 155.35 17.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 117.361 0.58 . . . . 0.0 109.823 178.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 54.5 m -81.48 161.69 23.55 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.756 0.312 . . . . 0.0 110.95 -179.551 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -66.96 -21.99 65.95 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.952 -179.174 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -83.64 -30.04 27.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.639 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.65 -35.22 70.3 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.396 -179.558 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . 0.412 ' HB1' ' HA ' ' A' ' 125' ' ' ALA . . . -59.56 -56.86 16.66 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.027 0.441 . . . . 0.0 110.413 179.767 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -47.61 -41.85 22.83 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.414 179.392 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -70.26 -48.23 57.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.752 -179.456 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . 0.83 ' O ' HG23 ' A' ' 145' ' ' VAL . . . -63.48 -36.16 82.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.937 0.398 . . . . 0.0 111.719 -179.378 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 83.1 t80 -54.85 -60.74 2.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.823 179.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 20.8 m-20 -55.67 -35.44 66.0 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.535 -0.757 . . . . 0.0 112.215 -179.184 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -66.78 -32.36 73.59 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 -179.071 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . 0.83 HG23 ' O ' ' A' ' 141' ' ' ALA . 3.5 t -85.02 -35.8 10.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 112.838 0.681 . . . . 0.0 112.838 -178.131 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . 0.408 ' N ' HD21 ' A' ' 153' ' ' LEU . 0.6 OUTLIER -61.81 79.91 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.265 0.555 . . . . 0.0 111.311 -179.251 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 147' ' ' THR . . . . . 0.433 ' N ' ' O ' ' A' ' 145' ' ' VAL . 0.2 OUTLIER -56.85 -31.62 64.98 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.27 -0.877 . . . . 0.0 112.668 179.598 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -95.88 6.6 48.5 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.41 0.522 . . . . 0.0 112.41 -178.082 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 40.23 29.07 0.19 Allowed Glycine 0 C--N 1.332 0.359 0 C-N-CA 120.986 -0.626 . . . . 0.0 113.195 179.614 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 45.4 p-10 -88.88 -4.22 58.53 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.633 0.254 . . . . 0.0 111.176 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 87.31 6.04 78.69 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.641 -0.79 . . . . 0.0 113.489 179.097 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -135.36 134.92 40.27 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 117.627 0.713 . . . . 0.0 110.792 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 0.425 ' HB2' ' HB ' ' A' ' 119' ' ' ILE . 56.2 mt -101.02 105.63 16.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.291 179.016 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 27.0 t -88.35 165.84 14.69 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.706 -179.1 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 81.6 mt -48.23 -44.35 33.05 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.71 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -57.35 -51.55 68.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.244 0.545 . . . . 0.0 110.831 179.475 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -64.98 -15.03 61.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.41 -0.814 . . . . 0.0 112.472 -178.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 158' ' ' LEU . . . . . 0.637 HD22 ' CG1' ' A' ' 104' ' ' VAL . 0.2 OUTLIER -75.54 -39.53 58.13 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.173 179.553 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 0.614 ' N ' HD23 ' A' ' 159' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.463 0.206 0 CA-C-O 120.899 0.381 . . . . 0.0 110.643 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.3 mt . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.938 0.399 . . . . 0.0 111.667 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.61 -34.69 78.38 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.975 -179.223 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -57.81 -46.7 84.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.824 0.345 . . . . 0.0 111.048 -179.603 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.44 -46.71 89.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.561 -179.719 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -60.9 -48.75 80.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.594 -179.061 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.724 HD13 ' HA ' ' A' ' 81' ' ' ILE . 47.8 mt -77.49 -29.72 52.71 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 121.043 -0.263 . . . . 0.0 111.514 -179.264 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.95 -50.86 72.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.809 0.338 . . . . 0.0 111.015 -179.287 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 42.6 mttm -62.61 -44.99 94.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.05 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.01 -28.53 2.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.779 0.323 . . . . 0.0 111.331 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -74.54 -61.96 1.69 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.909 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -68.17 -21.42 64.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.902 0.382 . . . . 0.0 110.575 179.479 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.42 -16.54 60.33 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.48 -179.74 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 2.2 m0 -111.18 18.14 19.64 Favored 'General case' 0 C--N 1.333 -0.135 0 N-CA-C 112.11 0.411 . . . . 0.0 112.11 -179.157 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -80.36 81.01 6.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.917 0.389 . . . . 0.0 110.773 179.646 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -54.77 -51.99 63.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.551 -179.239 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.405 ' OD1' ' N ' ' A' ' 19' ' ' ASP . 7.8 p-10 -96.57 -12.75 23.59 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.548 0.213 . . . . 0.0 111.466 -179.603 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.36 43.03 21.39 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.535 -0.84 . . . . 0.0 111.899 -179.577 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.413 ' OD1' ' N ' ' A' ' 21' ' ' ASN . 9.1 p-10 -92.22 -11.58 35.02 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 111.6 0.222 . . . . 0.0 111.6 -179.543 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 83.66 21.0 58.85 Favored Glycine 0 C--N 1.331 0.295 0 C-N-CA 120.551 -0.833 . . . . 0.0 112.326 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.521 ' HB1' ' HB2' ' A' ' 74' ' ' SER . . . -155.28 178.36 10.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.716 0.293 . . . . 0.0 110.676 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 19.7 mt -118.65 124.09 46.54 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.783 179.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -119.48 173.47 6.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.042 0.449 . . . . 0.0 110.393 179.607 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 32.8 ttp180 -69.59 -32.51 71.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.052 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.29 -18.82 65.58 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.048 179.556 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.3 -31.46 67.48 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 179.318 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -78.91 -41.33 29.84 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.217 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -61.99 -39.75 93.28 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 179.545 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.36 -42.18 88.43 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.106 0.479 . . . . 0.0 109.846 179.08 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.425 ' O ' HG12 ' A' ' 36' ' ' ILE . 1.3 tt0 -52.04 -63.01 1.28 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.139 179.409 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -44.39 -49.23 9.75 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.88 0.371 . . . . 0.0 111.265 179.63 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -62.35 -49.5 75.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.421 179.807 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 17.2 t60 -54.26 -23.97 16.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.905 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.425 HG12 ' O ' ' A' ' 32' ' ' GLU . 14.2 mm -82.92 -50.93 15.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.016 179.79 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -46.27 -43.75 15.91 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 120.935 0.398 . . . . 0.0 111.124 179.56 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -61.02 -41.96 97.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.398 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.58 -29.34 69.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.79 0.329 . . . . 0.0 110.846 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.417 ' CE2' ' SG ' ' A' ' 111' ' ' CYS . 2.3 m-85 -91.82 4.9 51.82 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.62 -179.772 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 70.35 20.61 76.96 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.365 -0.922 . . . . 0.0 111.982 -179.282 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -88.73 -179.2 5.95 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.113 0.482 . . . . 0.0 111.248 -179.461 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.426 ' OD1' ' N ' ' A' ' 43' ' ' ASP . 0.4 OUTLIER -70.53 -154.9 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.971 -179.666 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -138.62 -61.69 0.58 Allowed 'General case' 0 N--CA 1.456 -0.174 0 N-CA-C 108.415 -0.958 . . . . 0.0 108.415 178.043 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -96.76 23.06 37.09 Favored Glycine 0 N--CA 1.451 -0.334 0 CA-C-N 115.105 -0.952 . . . . 0.0 112.206 179.317 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.16 -166.12 0.29 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 117.068 0.434 . . . . 0.0 111.117 179.296 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -83.14 -55.39 4.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.901 0.381 . . . . 0.0 110.067 178.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -50.79 -42.31 57.89 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.698 -179.412 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 20.4 t -77.07 -39.05 28.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 110.148 -0.316 . . . . 0.0 110.148 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.16 -40.93 95.72 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 178.479 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.2 m -58.1 -57.64 11.95 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.411 179.178 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.409 HD11 ' CE2' ' A' ' 56' ' ' PHE . 13.1 tp -51.2 -58.27 6.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.31 -179.771 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.84 -40.52 56.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.765 -0.198 . . . . 0.0 110.776 179.717 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 49.2 t-20 -57.75 -40.4 79.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.999 0.428 . . . . 0.0 110.041 179.67 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.93 -46.28 68.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.528 179.227 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.409 ' CE2' HD11 ' A' ' 52' ' ' LEU . 2.5 m-85 -54.53 -32.32 57.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.719 179.714 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -62.39 -51.5 55.91 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.545 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -63.14 -26.81 69.63 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.48 -0.866 . . . . 0.0 112.401 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 7.8 tt -58.31 -42.56 86.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.868 0.366 . . . . 0.0 110.521 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.479 ' HA ' HD12 ' A' ' 63' ' ' LEU . 31.5 t80 -60.97 -40.19 92.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.135 179.349 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -42.91 -49.3 5.92 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.254 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.479 ' CE1' ' HG3' ' A' ' 66' ' ' GLU . 4.6 t80 -59.66 -36.43 76.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.637 179.703 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.501 ' HB3' HD11 ' A' ' 75' ' ' LEU . 74.2 mt -65.12 -54.67 26.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.452 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.81 ' HB1' ' O ' ' A' ' 69' ' ' VAL . . . -56.81 -49.24 75.98 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.171 -0.468 . . . . 0.0 112.117 179.409 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.21 -50.61 71.1 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.789 0.328 . . . . 0.0 111.204 -179.164 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.479 ' HG3' ' CE1' ' A' ' 62' ' ' TYR . 1.8 mm-40 -62.87 -40.43 97.49 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.184 179.738 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.423 ' CB ' ' CD2' ' A' ' 75' ' ' LEU . . . -79.14 -26.61 42.78 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 -179.288 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 103.4 4.73 46.63 Favored Glycine 0 CA--C 1.519 0.331 0 C-N-CA 120.5 -0.857 . . . . 0.0 113.704 179.297 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.81 ' O ' ' HB1' ' A' ' 64' ' ' ALA . 26.2 m -104.53 170.19 2.02 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.839 0.319 . . . . 0.0 110.21 179.469 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -88.4 -178.41 46.92 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.708 -0.758 . . . . 0.0 113.697 -178.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 18.1 m -64.12 -12.67 41.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.474 -0.363 . . . . 0.0 111.044 178.223 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -114.42 14.32 17.86 Favored 'General case' 0 CA--C 1.528 0.128 0 CA-C-O 120.498 0.19 . . . . 0.0 111.474 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -94.31 -167.12 36.91 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.565 -0.826 . . . . 0.0 112.762 -179.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.521 ' HB2' ' HB1' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -143.32 154.98 44.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.056 0.455 . . . . 0.0 111.688 -179.186 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.501 HD11 ' HB3' ' A' ' 63' ' ' LEU . 0.3 OUTLIER -117.99 139.99 50.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.121 179.078 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 59.1 p -84.5 -174.55 5.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.784 0.326 . . . . 0.0 111.242 -179.545 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -75.42 -50.95 14.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.086 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -56.73 -31.66 64.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.399 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -73.49 -43.67 59.58 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.548 179.493 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.473 ' CD1' ' OG1' ' A' ' 84' ' ' THR . 24.7 t80 -53.73 -54.42 38.31 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.928 179.627 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.724 ' HA ' HD13 ' A' ' 9' ' ' LEU . 74.7 mt -52.5 -52.27 27.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.559 -179.546 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -57.38 -54.67 44.22 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.871 -179.374 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 19.2 t -70.06 -40.43 78.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 111.875 0.324 . . . . 0.0 111.875 -178.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.473 ' OG1' ' CD1' ' A' ' 80' ' ' PHE . 61.8 m -62.66 -44.14 97.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.875 0.369 . . . . 0.0 110.273 179.721 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -51.82 -48.74 63.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.132 -179.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 13.6 m-80 -59.92 -36.51 77.17 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.762 179.511 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.462 HD22 ' CZ ' ' A' ' 96' ' ' PHE . 0.3 OUTLIER -60.88 -48.43 81.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.349 179.47 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 7.9 mt -74.3 -39.23 48.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.066 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 32.2 m-85 -87.98 -81.33 0.25 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.092 -179.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.43 -158.94 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.792 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 74.34 136.94 0.06 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.976 0.417 . . . . 0.0 110.685 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -73.44 162.34 54.53 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.989 -179.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -57.63 -56.4 22.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.979 0.419 . . . . 0.0 111.093 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.407 ' O ' ' CG ' ' A' ' 98' ' ' ARG . . . -61.62 -11.48 11.66 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.676 0.621 . . . . 0.0 112.676 -179.476 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.02 -45.26 42.99 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.724 0.297 . . . . 0.0 110.87 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.462 ' CZ ' HD22 ' A' ' 87' ' ' LEU . 0.1 OUTLIER -69.7 -41.33 75.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.689 179.851 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 50.3 t30 -69.59 -35.13 75.04 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.084 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.407 ' CG ' ' O ' ' A' ' 94' ' ' ALA . 8.4 mmp_? -62.43 -56.92 13.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.393 -179.572 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.404 HG21 ' CD2' ' A' ' 62' ' ' TYR . 19.5 t -81.34 -35.74 14.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 112.868 0.692 . . . . 0.0 112.868 -178.134 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.574 ' O ' HG22 ' A' ' 103' ' ' VAL . 7.5 tp -88.54 -26.94 21.73 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 119.982 -0.687 . . . . 0.0 111.901 -177.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.511 ' N ' ' HD2' ' A' ' 102' ' ' PRO . . . -47.64 -52.86 14.23 Favored Glycine 0 CA--C 1.525 0.678 0 C-N-CA 120.72 -0.752 . . . . 0.0 113.434 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.511 ' HD2' ' N ' ' A' ' 101' ' ' GLY . 25.6 Cg_endo -63.61 -33.26 67.89 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.633 2.222 . . . . 0.0 114.1 -178.693 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.574 HG22 ' O ' ' A' ' 100' ' ' LEU . 15.1 m -72.48 -41.0 64.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 C-N-CA 120.149 -0.621 . . . . 0.0 111.348 -178.633 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 100' ' ' LEU . 11.5 t -69.03 -37.77 77.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 120.98 0.419 . . . . 0.0 110.011 178.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -57.51 -47.47 81.86 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.734 178.507 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -49.82 -30.24 14.61 Favored Glycine 0 N--CA 1.449 -0.434 0 CA-C-N 115.468 -0.787 . . . . 0.0 112.401 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 84.3 mt -72.85 -41.14 61.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 121.045 0.45 . . . . 0.0 110.418 179.569 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.427 ' O ' ' HB2' ' A' ' 112' ' ' ASP . 44.7 t -63.56 -39.89 87.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.635 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -60.83 -39.78 97.31 Favored Glycine 0 N--CA 1.453 -0.211 0 C-N-CA 120.629 -0.795 . . . . 0.0 112.798 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 8.1 ptm -77.44 -26.14 51.25 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.613 0.206 . . . . 0.0 111.502 -179.17 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . 0.437 ' O ' ' C ' ' A' ' 112' ' ' ASP . 3.1 m -97.81 -87.47 0.33 Allowed 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.632 0.605 . . . . 0.0 112.632 -178.362 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . 0.437 ' C ' ' O ' ' A' ' 111' ' ' CYS . 5.8 t0 15.93 103.0 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 124.235 1.014 . . . . 0.0 112.83 -178.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 26.9 mttt -81.75 -8.68 59.72 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.952 -179.389 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 53.0 p30 -128.64 -0.76 5.48 Favored 'General case' 0 CA--C 1.53 0.193 0 N-CA-C 111.891 0.33 . . . . 0.0 111.891 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . 52.29 61.55 3.15 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.629 0.252 . . . . 0.0 111.073 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 52.1 p30 -121.65 -8.57 9.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.56 179.387 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 80.26 8.34 87.69 Favored Glycine 0 C--N 1.334 0.43 0 C-N-CA 120.823 -0.703 . . . . 0.0 113.137 179.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -121.99 165.73 15.56 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.957 0.408 . . . . 0.0 111.328 -179.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 39.4 mm -109.09 100.38 10.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.398 -179.279 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -86.49 156.05 20.27 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 178.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.541 ' HB2' ' CE2' ' A' ' 142' ' ' PHE . . . -47.22 -35.84 8.09 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 121.109 -0.236 . . . . 0.0 111.474 -179.048 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.51 -32.94 70.61 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.238 179.183 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -77.33 -47.02 21.04 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 179.08 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -56.39 -49.07 75.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.731 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -56.48 -44.69 80.88 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.775 -179.257 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -54.74 -31.98 59.15 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 112.331 0.493 . . . . 0.0 112.331 -179.181 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 13.7 t90 -88.69 -37.32 15.64 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 111.701 0.26 . . . . 0.0 111.701 -178.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.422 HD13 ' HA ' ' A' ' 138' ' ' ALA . 0.2 OUTLIER -61.16 -43.29 99.12 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.063 0.459 . . . . 0.0 110.337 179.731 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . 0.431 ' HA ' ' O ' ' A' ' 133' ' ' MET . 1.6 m -73.31 -28.97 62.39 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.495 179.141 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.22 -36.23 82.97 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.412 179.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 21.8 mt -82.92 -4.59 58.37 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.125 0.416 . . . . 0.0 112.125 -178.376 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 110.64 21.83 6.64 Favored Glycine 0 C--N 1.331 0.268 0 C-N-CA 120.024 -1.084 . . . . 0.0 113.655 179.068 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' MET . . . . . 0.431 ' O ' ' HA ' ' A' ' 129' ' ' THR . 7.2 mmt -99.24 155.75 17.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 117.021 0.411 . . . . 0.0 110.072 179.206 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . 0.416 ' CB ' ' OE1' ' A' ' 137' ' ' GLU . 5.7 m -81.73 165.0 21.34 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.68 0.276 . . . . 0.0 110.874 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.06 -22.86 65.83 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.89 0.376 . . . . 0.0 111.151 -179.764 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -80.2 -26.32 39.26 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.138 179.415 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . 0.416 ' OE1' ' CB ' ' A' ' 134' ' ' SER . 2.2 mp0 -73.72 -38.24 64.87 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.635 -179.324 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . 0.422 ' HA ' HD13 ' A' ' 128' ' ' LEU . . . -59.78 -58.7 7.42 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.0 0.428 . . . . 0.0 110.729 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -47.77 -42.34 25.43 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.399 179.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.64 -50.12 47.29 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.78 -179.455 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . 0.584 ' O ' HG23 ' A' ' 145' ' ' VAL . . . -62.88 -37.2 85.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.954 0.407 . . . . 0.0 111.61 -179.153 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 142' ' ' PHE . . . . . 0.541 ' CE2' ' HB2' ' A' ' 121' ' ' ALA . 48.9 t80 -53.71 -60.1 3.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.708 179.504 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -58.1 -34.87 70.66 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.417 -0.811 . . . . 0.0 112.699 -179.418 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -66.47 -34.15 77.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.661 0.267 . . . . 0.0 111.663 -178.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . 0.584 HG23 ' O ' ' A' ' 141' ' ' ALA . 23.7 t -84.38 -31.22 7.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 -178.641 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -61.55 78.55 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 121.329 0.585 . . . . 0.0 111.224 -178.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 147' ' ' THR . . . . . 0.457 ' N ' ' O ' ' A' ' 145' ' ' VAL . 65.1 m -56.99 -33.67 67.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.304 -0.862 . . . . 0.0 112.705 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 33.4 p30 -97.76 6.1 48.32 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -178.199 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 40.61 31.85 0.44 Allowed Glycine 0 C--N 1.333 0.392 0 C-N-CA 120.973 -0.632 . . . . 0.0 113.456 179.408 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 48.6 p-10 -88.68 -5.01 58.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.571 0.224 . . . . 0.0 111.086 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 88.49 3.96 77.39 Favored Glycine 0 C--N 1.334 0.433 0 C-N-CA 120.801 -0.714 . . . . 0.0 113.265 179.097 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -134.45 135.41 42.5 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 117.24 0.52 . . . . 0.0 110.899 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 0.459 HD23 ' HA ' ' A' ' 153' ' ' LEU . 11.6 mt -103.51 100.57 10.43 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.395 179.283 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 6.1 m -89.69 171.23 9.8 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.062 0.458 . . . . 0.0 111.938 -179.144 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 64.3 mt -49.45 -45.36 46.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.659 -0.7 . . . . 0.0 111.326 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.02 -51.67 68.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.108 0.48 . . . . 0.0 111.042 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -63.57 -19.8 65.12 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.732 -0.667 . . . . 0.0 112.643 -178.619 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.65 -29.99 65.24 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.169 179.778 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 0.411 ' N ' HD23 ' A' ' 159' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.691 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.1 mp . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.89 0.376 . . . . 0.0 111.226 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.06 -33.53 76.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.03 -0.532 . . . . 0.0 112.403 -179.182 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.11 -49.17 78.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.035 0.445 . . . . 0.0 110.708 -179.821 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -54.33 -46.94 72.98 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.331 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.409 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -62.36 -48.35 80.16 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.792 -179.232 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.531 HD13 HG23 ' A' ' 81' ' ' ILE . 35.9 mt -74.98 -39.38 61.31 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.924 -0.31 . . . . 0.0 111.522 -178.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.26 -40.02 76.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.829 0.347 . . . . 0.0 110.715 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.423 ' O ' ' N ' ' A' ' 15' ' ' ARG . 11.1 mtpt -73.31 -46.25 50.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.122 -179.627 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.414 ' O ' ' CE3' ' A' ' 16' ' ' TRP . 2.2 mmp_? -46.91 -28.67 1.68 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.768 0.318 . . . . 0.0 111.022 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -74.46 -59.33 2.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.463 179.504 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -68.96 -14.63 63.16 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.844 179.454 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.423 ' N ' ' O ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -74.06 -22.02 59.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.075 -179.827 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.414 ' CE3' ' O ' ' A' ' 12' ' ' ARG . 1.7 m0 -99.01 -96.74 0.23 Allowed 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 111.806 0.299 . . . . 0.0 111.806 -179.663 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 40.83 72.89 0.14 Allowed 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 121.188 0.518 . . . . 0.0 111.526 -179.301 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -55.62 -50.69 69.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.765 -179.065 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.5 p-10 -98.16 -15.33 19.95 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 111.685 0.254 . . . . 0.0 111.685 -179.277 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 81.11 49.0 5.77 Favored Glycine 0 CA--C 1.518 0.246 0 C-N-CA 120.54 -0.838 . . . . 0.0 112.126 -179.576 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.0 p30 -95.44 -12.49 25.84 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 111.751 0.278 . . . . 0.0 111.751 -179.568 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 82.06 21.3 61.28 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.302 -179.598 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -158.19 179.71 8.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.631 0.253 . . . . 0.0 110.498 179.641 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -114.46 116.86 29.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.87 0.367 . . . . 0.0 110.449 179.374 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -116.29 170.78 8.27 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.583 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -70.15 -39.33 75.42 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.583 179.702 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.2 -22.48 51.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.829 179.394 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -70.87 -27.64 63.98 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.012 179.617 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.464 ' CE2' HD12 ' A' ' 59' ' ' LEU . 65.4 m-85 -76.97 -36.02 56.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.739 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -65.39 -40.98 94.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.51 179.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.8 tptt -66.05 -43.69 86.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.866 0.365 . . . . 0.0 110.308 179.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -50.5 -68.08 0.2 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.268 179.61 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.415 ' CB ' ' HG3' ' A' ' 53' ' ' LYS . . . -43.06 -46.03 5.48 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.95 179.507 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -64.61 -54.46 31.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.46 179.518 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 27.6 t60 -56.37 -39.41 72.88 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.1 179.457 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.437 ' O ' ' HB3' ' A' ' 39' ' ' ALA . 56.7 mt -63.1 -54.75 29.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.494 179.245 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -43.01 -46.35 5.48 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.716 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.61 -35.57 74.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.914 0.388 . . . . 0.0 110.086 179.349 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.437 ' HB3' ' O ' ' A' ' 36' ' ' ILE . . . -62.11 -33.52 74.61 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 178.716 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -89.7 1.41 56.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.463 178.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 65.08 -157.93 45.88 Favored Glycine 0 N--CA 1.446 -0.673 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.374 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 23.2 mtmt 74.37 -155.29 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.659 0.266 . . . . 0.0 111.214 179.383 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.401 ' HB2' ' HB2' ' A' ' 46' ' ' ALA . 1.0 OUTLIER -68.81 -162.31 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.928 0.394 . . . . 0.0 111.727 -178.898 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.824 ' O ' HG11 ' A' ' 49' ' ' VAL . . . -142.19 -54.26 0.43 Allowed 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 178.107 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -90.87 30.41 6.22 Favored Glycine 0 CA--C 1.519 0.3 0 CA-C-N 114.911 -1.04 . . . . 0.0 112.266 179.56 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.401 ' HB2' ' HB2' ' A' ' 43' ' ' ASP . . . -68.7 -169.55 0.17 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.765 0.283 . . . . 0.0 110.811 179.445 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -87.6 -45.25 10.59 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.813 0.34 . . . . 0.0 111.186 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -58.79 -27.32 64.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.053 -0.521 . . . . 0.0 112.181 -178.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.824 HG11 ' O ' ' A' ' 44' ' ' ALA . 5.6 p -76.66 -42.4 34.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.594 -0.275 . . . . 0.0 110.554 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -60.93 -42.59 98.45 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 178.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 27.9 m -58.77 -55.82 30.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.832 178.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 47.2 tp -50.42 -60.85 2.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.729 -0.668 . . . . 0.0 110.459 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.415 ' HG3' ' CB ' ' A' ' 33' ' ' ALA . 35.8 mtpt -50.86 -36.17 36.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.61 -0.268 . . . . 0.0 110.784 179.566 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -59.35 -41.52 89.38 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.874 0.369 . . . . 0.0 110.232 179.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.05 -46.71 67.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.378 178.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -55.43 -33.71 63.81 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.543 179.515 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -63.17 -51.31 56.0 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.264 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -60.12 -28.75 67.01 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.676 -0.774 . . . . 0.0 112.554 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.64 HD13 ' C ' ' A' ' 59' ' ' LEU . 3.1 tm? -57.48 -39.35 76.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.728 0.299 . . . . 0.0 110.281 179.778 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.417 ' O ' ' N ' ' A' ' 63' ' ' LEU . 47.8 t80 -62.55 -43.9 97.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.399 179.421 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.405 ' OD1' ' N ' ' A' ' 61' ' ' ASP . 0.8 OUTLIER -41.37 -50.33 3.79 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.535 -179.625 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 15.2 t80 -58.05 -33.24 68.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.839 0.352 . . . . 0.0 110.805 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.417 ' N ' ' O ' ' A' ' 60' ' ' PHE . 13.8 mt -67.08 -57.22 7.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.037 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.62 ' HB1' ' O ' ' A' ' 69' ' ' VAL . . . -55.82 -48.33 75.62 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.516 179.738 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 37.3 mtmt -62.54 -53.35 56.08 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.683 -179.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 43.9 mm-40 -61.52 -40.1 93.41 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.808 179.601 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -76.54 -26.74 55.5 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.82 0.343 . . . . 0.0 111.601 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 103.65 4.09 46.19 Favored Glycine 0 CA--C 1.521 0.455 0 C-N-CA 120.782 -0.723 . . . . 0.0 114.139 178.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.62 ' O ' ' HB1' ' A' ' 64' ' ' ALA . 25.5 m -106.0 176.16 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 117.153 0.477 . . . . 0.0 110.942 179.544 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -85.77 177.51 49.74 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 121.004 -0.617 . . . . 0.0 113.853 -178.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.16 -14.03 52.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.136 -0.532 . . . . 0.0 111.082 178.416 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.8 p30 -111.23 14.93 21.7 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 111.608 0.225 . . . . 0.0 111.608 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -94.26 -166.04 36.65 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.503 -0.855 . . . . 0.0 112.641 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 85.3 p -142.06 154.8 45.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.871 0.367 . . . . 0.0 111.361 -179.346 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -117.83 138.4 52.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.297 179.35 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 12.0 p -87.67 178.79 6.65 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.219 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -69.85 -48.24 59.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.133 -179.563 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.93 -35.69 71.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.461 179.792 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.1 -41.85 61.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.036 0.446 . . . . 0.0 110.042 179.215 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 23.1 t80 -52.31 -54.34 32.82 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.489 179.19 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.531 HG23 HD13 ' A' ' 9' ' ' LEU . 79.0 mt -54.76 -51.11 55.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.39 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 58.1 ttt180 -55.74 -54.98 37.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.64 -179.376 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 13.1 t -70.57 -34.61 57.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 111.882 0.327 . . . . 0.0 111.882 -179.218 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 75.5 m -63.03 -43.35 98.92 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.055 0.455 . . . . 0.0 110.087 179.652 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -49.58 -51.41 37.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.799 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -60.7 -37.63 82.3 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.198 -0.456 . . . . 0.0 112.011 -179.45 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 10.4 mt -56.37 -52.6 63.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.822 0.344 . . . . 0.0 111.011 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 49.6 mm -72.54 -38.38 59.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.439 -179.705 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -92.29 -80.05 0.37 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.405 -179.626 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -59.73 -163.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.945 0.402 . . . . 0.0 111.229 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 69.56 -81.62 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.994 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 134.9 174.73 13.55 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.597 -0.811 . . . . 0.0 112.965 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -58.36 -57.43 12.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.108 0.48 . . . . 0.0 111.483 -179.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.44 ' O ' ' HB2' ' A' ' 98' ' ' ARG . . . -58.87 -14.7 9.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.668 -0.696 . . . . 0.0 112.515 -178.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 16.5 m -76.92 -43.08 36.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.673 0.273 . . . . 0.0 111.228 -179.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 22.7 t80 -71.64 -39.51 70.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.782 0.325 . . . . 0.0 111.782 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 42.0 t-20 -69.52 -34.18 73.9 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.654 -179.579 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.44 ' HB2' ' O ' ' A' ' 94' ' ' ALA . 0.4 OUTLIER -60.46 -66.18 0.57 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.886 0.374 . . . . 0.0 111.993 -179.582 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.416 HG12 HD23 ' A' ' 59' ' ' LEU . 42.7 t -72.25 -35.0 51.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 113.083 0.772 . . . . 0.0 113.083 -178.029 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.916 HD13 ' HB ' ' A' ' 103' ' ' VAL . 0.2 OUTLIER -89.58 -26.01 21.04 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 119.707 -0.797 . . . . 0.0 112.498 -177.721 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -43.35 -60.83 3.01 Favored Glycine 0 CA--C 1.522 0.519 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.579 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_exo -61.4 -16.59 48.18 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.791 2.328 . . . . 0.0 112.439 179.515 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.916 ' HB ' HD13 ' A' ' 100' ' ' LEU . 80.3 t -80.06 -51.59 15.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.191 -179.574 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.623 ' O ' HG23 ' A' ' 108' ' ' VAL . 4.9 t -68.66 -32.72 56.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.981 0.419 . . . . 0.0 110.932 179.351 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.07 -56.74 16.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.649 179.664 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -45.37 -38.87 7.03 Favored Glycine 0 CA--C 1.518 0.279 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.199 179.584 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 17.7 mt -75.16 -38.17 41.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.756 0.312 . . . . 0.0 111.139 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.623 HG23 ' O ' ' A' ' 104' ' ' VAL . 97.0 t -63.52 -32.84 58.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.025 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -71.82 -27.79 70.09 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.592 -0.813 . . . . 0.0 112.35 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.27 -27.47 42.29 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.631 0.253 . . . . 0.0 110.441 179.747 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -86.73 -41.39 14.18 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 113.025 0.75 . . . . 0.0 113.025 -177.528 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . 0.436 ' HA ' ' HG2' ' A' ' 123' ' ' GLU . 11.7 m-20 -63.24 -72.71 0.13 Allowed 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.453 -0.499 . . . . 0.0 110.445 -179.206 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.427 ' HB2' ' O ' ' A' ' 112' ' ' ASP . 0.8 OUTLIER 81.83 -2.42 1.56 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.067 -178.252 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . 0.585 ' O ' ' HB3' ' A' ' 115' ' ' ALA . 2.4 p30 -105.62 -18.63 14.02 Favored 'General case' 0 CA--C 1.528 0.131 0 CA-C-N 116.625 -0.262 . . . . 0.0 110.533 179.487 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.585 ' HB3' ' O ' ' A' ' 114' ' ' ASN . . . 78.8 43.02 0.08 Allowed 'General case' 0 C--O 1.232 0.151 0 N-CA-C 112.662 0.615 . . . . 0.0 112.662 179.088 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 46.6 p-10 -105.83 -18.67 13.98 Favored 'General case' 0 N--CA 1.463 0.179 0 C-N-CA 121.034 -0.266 . . . . 0.0 110.975 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 79.43 12.21 84.05 Favored Glycine 0 CA--C 1.521 0.462 0 C-N-CA 120.828 -0.701 . . . . 0.0 113.479 179.537 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -124.78 163.91 21.11 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 117.315 0.557 . . . . 0.0 111.828 -179.641 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.542 HG13 HD11 ' A' ' 158' ' ' LEU . 31.9 mm -110.34 101.17 12.17 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.186 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.404 -179.452 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -85.71 158.81 19.95 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 179.384 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.472 ' HB2' ' CZ ' ' A' ' 142' ' ' PHE . . . -48.48 -38.46 20.1 Favored 'General case' 0 C--N 1.332 -0.161 0 C-N-CA 121.143 -0.223 . . . . 0.0 111.286 -178.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.6 -27.3 65.92 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 178.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . 0.436 ' HG2' ' HA ' ' A' ' 112' ' ' ASP . 25.1 mt-10 -85.97 -46.6 10.38 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.348 178.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . 0.487 ' CE2' HD11 ' A' ' 128' ' ' LEU . 3.9 t80 -55.08 -50.7 68.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.955 0.407 . . . . 0.0 110.41 179.664 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.562 ' HA ' ' HB1' ' A' ' 138' ' ' ALA . . . -56.45 -41.89 77.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.381 179.639 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -55.36 -34.95 64.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.471 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 13.1 t90 -83.39 -44.21 15.07 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 112.033 0.382 . . . . 0.0 112.033 -178.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.487 HD11 ' CE2' ' A' ' 124' ' ' PHE . 0.3 OUTLIER -59.64 -43.71 93.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.876 0.37 . . . . 0.0 111.015 -179.43 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . 0.42 ' HA ' ' O ' ' A' ' 133' ' ' MET . 69.0 p -70.46 -27.62 64.37 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.076 179.372 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.29 -36.45 84.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.331 179.228 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 66.7 mt -85.1 0.56 51.2 Favored 'General case' 0 CA--C 1.531 0.22 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -178.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 108.41 24.63 6.11 Favored Glycine 0 C--N 1.332 0.351 0 C-N-CA 120.159 -1.02 . . . . 0.0 113.874 178.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' MET . . . . . 0.42 ' O ' ' HA ' ' A' ' 129' ' ' THR . 23.5 mmt -101.68 154.87 18.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 117.366 0.583 . . . . 0.0 110.62 179.467 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 1.3 p -82.39 169.35 16.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.738 0.304 . . . . 0.0 111.101 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.87 -22.59 61.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.434 -179.552 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -80.69 -26.34 37.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.946 179.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -75.13 -44.97 44.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.818 -179.409 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . 0.562 ' HB1' ' HA ' ' A' ' 125' ' ' ALA . . . -57.16 -52.07 66.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.817 0.342 . . . . 0.0 110.664 -179.619 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -50.93 -43.34 60.08 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.981 179.435 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.19 -46.5 64.46 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.657 -179.826 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . 0.5 ' O ' HG23 ' A' ' 145' ' ' VAL . . . -63.13 -37.15 86.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.619 -179.337 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 142' ' ' PHE . . . . . 0.472 ' CZ ' ' HB2' ' A' ' 121' ' ' ALA . 89.6 t80 -52.85 -61.02 2.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.393 179.488 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -55.51 -34.6 64.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.838 -179.348 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -67.92 -31.07 70.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.463 -179.252 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 141' ' ' ALA . 59.8 t -85.02 -35.14 9.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 -178.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.85 77.95 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.137 0.494 . . . . 0.0 111.367 -179.142 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 147' ' ' THR . . . . . 0.453 ' N ' ' O ' ' A' ' 145' ' ' VAL . 2.2 m -56.83 -33.09 66.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.708 -0.678 . . . . 0.0 112.095 179.643 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 56.5 p30 -97.76 4.86 49.79 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.442 0.534 . . . . 0.0 112.442 -178.368 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 40.7 36.95 1.17 Allowed Glycine 0 CA--C 1.521 0.449 0 C-N-CA 120.998 -0.62 . . . . 0.0 113.214 179.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 45.8 p-10 -94.18 -6.92 43.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.519 0.199 . . . . 0.0 111.528 -179.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 93.78 0.46 66.52 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.575 -0.821 . . . . 0.0 113.548 179.133 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -132.74 134.61 44.97 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 117.435 0.618 . . . . 0.0 110.509 179.54 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 0.455 ' HG ' ' CE1' ' A' ' 142' ' ' PHE . 56.8 mt -95.58 104.1 16.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.305 179.278 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 9.7 m -88.11 156.6 19.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.929 0.395 . . . . 0.0 111.796 -178.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -44.41 -41.18 6.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.928 -179.408 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.78 -56.52 19.58 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.805 0.336 . . . . 0.0 111.102 -179.531 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -67.89 -14.64 63.13 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.724 0.638 . . . . 0.0 112.724 -179.337 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 158' ' ' LEU . . . . . 0.542 HD11 HG13 ' A' ' 119' ' ' ILE . 0.6 OUTLIER -70.41 -44.48 67.84 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 120.892 0.377 . . . . 0.0 111.056 -179.946 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 0.625 ' N ' HD23 ' A' ' 159' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.459 -179.22 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.5 mp . . . . . 0 C--O 1.231 0.126 0 CA-C-O 121.007 0.432 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.13 -45.42 88.65 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.904 -0.589 . . . . 0.0 112.194 -179.273 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.7 t -58.27 -58.08 10.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.921 0.391 . . . . 0.0 111.007 -179.558 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -46.66 -52.55 13.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.331 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.12 -44.62 96.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.92 -178.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.799 HD13 HG23 ' A' ' 81' ' ' ILE . 8.4 mt -74.85 -37.05 62.34 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.874 -0.331 . . . . 0.0 111.648 -178.459 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.2 tmtm? -60.72 -63.01 1.45 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.827 0.346 . . . . 0.0 110.712 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 37.7 mttp -50.98 -43.47 60.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.938 0.399 . . . . 0.0 110.701 179.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -45.87 -37.28 6.09 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.303 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -72.96 -54.74 7.86 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.405 -179.491 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.22 -16.59 63.64 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.62 -179.794 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.7 ttt-85 -74.14 -19.42 60.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.53 0.205 . . . . 0.0 111.538 -179.609 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 11.6 m0 -104.94 -93.14 0.36 Allowed 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 116.798 -0.183 . . . . 0.0 110.991 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 39.96 79.72 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 121.049 0.452 . . . . 0.0 111.732 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.414 ' CD2' ' HB3' ' A' ' 31' ' ' LYS . 80.9 m-85 -56.22 -52.27 65.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.847 -179.224 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 27.8 p-10 -98.68 -13.97 20.04 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 111.832 0.308 . . . . 0.0 111.832 -179.234 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.18 43.19 21.81 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.448 -0.882 . . . . 0.0 112.193 -179.472 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.9 p30 -92.01 -9.09 44.13 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 111.651 0.241 . . . . 0.0 111.651 -179.625 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 81.12 16.88 73.39 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.415 -0.898 . . . . 0.0 112.413 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -153.59 -179.0 7.39 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.571 0.224 . . . . 0.0 110.504 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 78.4 mt -121.4 122.67 40.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.886 0.374 . . . . 0.0 110.92 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -117.86 172.12 7.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.112 0.482 . . . . 0.0 110.683 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.442 ' HA ' ' CD2' ' A' ' 60' ' ' PHE . 8.0 ttp85 -64.36 -30.49 71.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.001 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.52 -18.92 61.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.313 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -73.63 -30.98 63.29 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 110.183 -0.303 . . . . 0.0 110.183 179.435 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.497 ' CZ ' HD11 ' A' ' 63' ' ' LEU . 50.7 m-85 -76.27 -37.08 58.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.923 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -65.29 -35.51 81.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.513 179.67 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.414 ' HB3' ' CD2' ' A' ' 18' ' ' PHE . 8.3 mttt -64.73 -40.28 95.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.035 0.445 . . . . 0.0 109.982 179.4 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.474 ' HG2' ' CZ ' ' A' ' 56' ' ' PHE . 2.6 tt0 -56.39 -18.44 11.04 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.32 179.62 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.425 ' HB3' ' HG2' ' A' ' 53' ' ' LYS . . . -91.25 -50.54 5.77 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.977 0.418 . . . . 0.0 111.065 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.401 ' HG3' ' HD2' ' A' ' 53' ' ' LYS . 18.3 mt-30 -61.08 -51.56 68.65 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.855 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -54.07 -25.26 20.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.932 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.557 ' O ' ' HB3' ' A' ' 39' ' ' ALA . 16.5 mm -85.23 -50.43 14.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.355 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -45.38 -49.16 13.28 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.781 -0.19 . . . . 0.0 111.099 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -58.73 -34.44 71.37 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 178.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.557 ' HB3' ' O ' ' A' ' 36' ' ' ILE . . . -60.56 -31.46 70.58 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 178.404 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -93.94 1.06 56.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.876 179.111 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.406 ' O ' ' HB3' ' A' ' 42' ' ' LYS . . . 59.1 -154.37 29.08 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.979 -0.629 . . . . 0.0 112.889 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.406 ' HB3' ' O ' ' A' ' 41' ' ' GLY . 4.9 ttmt 74.95 -56.49 0.63 Allowed 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 122.389 0.276 . . . . 0.0 111.471 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.531 ' CB ' ' HB2' ' A' ' 46' ' ' ALA . 0.1 OUTLIER -164.67 -164.15 0.79 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.128 0.49 . . . . 0.0 111.931 -179.076 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.73 ' O ' HG11 ' A' ' 49' ' ' VAL . . . -140.85 -57.1 0.51 Allowed 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 177.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -95.96 25.65 24.36 Favored Glycine 0 N--CA 1.452 -0.246 0 CA-C-N 114.72 -1.127 . . . . 0.0 111.771 179.231 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.531 ' HB2' ' CB ' ' A' ' 43' ' ' ASP . . . -66.36 -172.04 0.14 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.927 0.394 . . . . 0.0 111.188 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -73.05 -53.25 11.58 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.16 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -59.05 -27.75 65.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.952 -179.056 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.73 HG11 ' O ' ' A' ' 44' ' ' ALA . 17.1 t -77.26 -44.78 30.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 C-N-CA 120.866 -0.334 . . . . 0.0 110.215 179.517 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.8 tp60 -60.04 -43.35 95.41 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 178.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 85.6 m -57.68 -56.2 25.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.97 179.115 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.538 HD13 ' HA3' ' A' ' 106' ' ' GLY . 51.5 tp -50.63 -56.22 12.84 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.43 ' HB3' ' NZ ' ' A' ' 53' ' ' LYS . 9.7 mtpm? -50.75 -42.06 57.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.786 0.327 . . . . 0.0 110.278 178.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -57.81 -44.7 86.56 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.027 179.551 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.82 -44.26 77.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.368 179.2 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.474 ' CZ ' ' HG2' ' A' ' 32' ' ' GLU . 0.2 OUTLIER -57.72 -31.8 66.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.417 179.652 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -68.76 -48.72 47.48 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.059 179.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -54.98 -36.79 61.16 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.895 -0.669 . . . . 0.0 112.549 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.747 HD13 HG21 ' A' ' 103' ' ' VAL . 1.2 tt -58.55 -35.31 72.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.707 0.289 . . . . 0.0 110.27 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.442 ' CD2' ' HA ' ' A' ' 26' ' ' ARG . 57.6 t80 -60.2 -47.91 83.96 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.649 -0.501 . . . . 0.0 109.649 179.181 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -42.0 -51.03 4.57 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.088 179.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -57.37 -36.06 70.75 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.043 0.449 . . . . 0.0 110.466 179.48 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.497 HD11 ' CZ ' ' A' ' 29' ' ' PHE . 28.0 mt -65.1 -56.28 13.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.297 179.427 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.449 ' HA ' ' CG2' ' A' ' 69' ' ' VAL . . . -56.07 -44.64 79.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.199 179.747 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.88 -54.65 27.52 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.001 0.429 . . . . 0.0 110.849 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -62.44 -39.69 94.17 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.743 179.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -77.49 -27.11 51.77 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.867 0.365 . . . . 0.0 111.302 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 64' ' ' ALA . . . 77.33 68.47 1.51 Allowed Glycine 0 CA--C 1.519 0.295 0 C-N-CA 120.914 -0.66 . . . . 0.0 113.911 178.785 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.478 HG23 ' H ' ' A' ' 70' ' ' GLY . 0.0 OUTLIER -124.66 -86.7 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.66 0.23 . . . . 0.0 111.355 179.898 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.55 ' O ' ' CB ' ' A' ' 71' ' ' SER . . . 178.4 -22.81 0.05 OUTLIER Glycine 0 CA--C 1.523 0.58 0 C-N-CA 119.659 -1.258 . . . . 0.0 114.632 -179.651 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.55 ' CB ' ' O ' ' A' ' 70' ' ' GLY . 22.7 t 114.18 -27.15 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.252 1.021 . . . . 0.0 109.745 -178.634 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -110.6 10.62 22.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.082 179.465 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -94.2 -162.86 35.65 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.643 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.4 p -142.79 156.37 44.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.027 0.441 . . . . 0.0 111.503 -179.336 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.5 mt -118.59 142.11 47.94 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.667 179.576 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 4.3 p -86.61 -170.52 3.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.456 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -75.71 -47.55 25.69 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.371 179.384 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -60.29 -31.69 70.49 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.265 179.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.491 ' O ' HG23 ' A' ' 83' ' ' VAL . 2.0 mp0 -73.22 -44.61 59.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.007 0.432 . . . . 0.0 110.903 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -52.79 -52.69 55.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.892 179.561 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.799 HG23 HD13 ' A' ' 9' ' ' LEU . 36.1 mt -53.28 -54.22 19.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.671 -0.695 . . . . 0.0 112.015 -179.242 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.42 -49.82 73.43 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.859 -179.209 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 79' ' ' GLN . 21.9 t -71.69 -48.94 49.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 N-CA-C 112.968 0.729 . . . . 0.0 112.968 -178.474 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 3.9 t -59.01 -41.04 86.73 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 121.049 -0.26 . . . . 0.0 111.199 -178.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.413 ' O ' ' HB2' ' A' ' 89' ' ' PHE . 2.7 mt-10 -63.28 -42.05 99.05 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -179.051 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.425 ' O ' ' HB2' ' A' ' 90' ' ' GLU . 1.2 t-20 -55.17 -41.09 71.42 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.229 0.455 . . . . 0.0 112.229 -178.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 9.2 mt -59.52 -57.04 14.71 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.809 0.338 . . . . 0.0 111.704 -179.51 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 3.1 mt -73.17 -36.86 51.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 N-CA-C 112.708 0.633 . . . . 0.0 112.708 -178.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.413 ' HB2' ' O ' ' A' ' 85' ' ' GLU . 11.4 m-85 -89.68 -70.25 0.67 Allowed 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.173 0.435 . . . . 0.0 112.173 -178.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.425 ' HB2' ' O ' ' A' ' 86' ' ' ASN . 0.0 OUTLIER -41.58 -79.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.344 0.498 . . . . 0.0 112.344 -178.667 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.5 175.11 10.81 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 112.21 0.448 . . . . 0.0 112.21 -178.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -89.23 -157.07 32.52 Favored Glycine 0 C--N 1.334 0.426 0 C-N-CA 121.068 -0.587 . . . . 0.0 113.406 -179.262 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -56.53 -39.77 73.92 Favored 'General case' 0 N--CA 1.462 0.166 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 -179.188 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -52.92 -25.85 13.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.908 -178.466 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.3 p -82.38 -52.65 6.69 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.038 179.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.637 ' CZ ' HD22 ' A' ' 100' ' ' LEU . 3.4 t80 -71.7 -39.26 70.3 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.845 -179.58 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.411 ' O ' ' N ' ' A' ' 101' ' ' GLY . 33.2 t-20 -69.17 -36.14 77.05 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.555 -179.381 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 -63.19 -65.92 0.62 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.846 0.355 . . . . 0.0 111.638 -179.161 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 9.8 p -66.53 -39.64 84.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 112.658 0.614 . . . . 0.0 112.658 -178.201 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.637 HD22 ' CZ ' ' A' ' 96' ' ' PHE . 7.4 tp -89.87 -23.97 21.5 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 112.819 0.674 . . . . 0.0 112.819 -177.598 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 97' ' ' ASN . . . -44.38 -66.21 1.45 Allowed Glycine 0 CA--C 1.521 0.431 0 C-N-CA 120.519 -0.848 . . . . 0.0 113.212 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -54.09 -18.49 13.7 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.727 2.285 . . . . 0.0 112.68 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.747 HG21 HD13 ' A' ' 59' ' ' LEU . 43.7 t -77.61 -46.05 27.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 C-N-CA 120.765 -0.374 . . . . 0.0 111.299 -179.539 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.421 ' O ' HG23 ' A' ' 108' ' ' VAL . 47.3 t -70.46 -36.32 65.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 121.022 0.439 . . . . 0.0 110.702 179.432 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.472 ' CG ' HD11 ' A' ' 155' ' ' LEU . 16.9 mtpt -57.5 -52.53 65.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.772 179.31 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . 0.538 ' HA3' HD13 ' A' ' 52' ' ' LEU . . . -47.56 -31.2 6.87 Favored Glycine 0 C--N 1.331 0.262 0 CA-C-N 115.829 -0.623 . . . . 0.0 112.818 -179.8 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.438 HD13 ' CZ2' ' A' ' 127' ' ' TRP . 46.9 mt -75.39 -39.66 41.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.909 0.385 . . . . 0.0 110.69 179.794 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.424 HG12 ' CG ' ' A' ' 112' ' ' ASP . 10.8 t -62.76 -36.32 74.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.344 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -59.81 -41.08 97.47 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.536 -0.84 . . . . 0.0 112.555 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 1.3 mtp -79.14 -25.07 42.93 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 121.376 -0.13 . . . . 0.0 111.183 -179.519 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 42.9 t -97.15 -26.11 15.07 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 113.328 0.862 . . . . 0.0 113.328 -177.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . 0.424 ' CG ' HG12 ' A' ' 108' ' ' VAL . 5.5 m-20 -62.27 104.88 0.53 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.151 0.5 . . . . 0.0 111.191 -178.453 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 2.8 mtpt -87.5 -21.66 25.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.939 179.373 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -107.55 8.24 29.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.617 -0.265 . . . . 0.0 111.409 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . 40.51 61.63 1.56 Allowed 'General case' 0 N--CA 1.463 0.215 0 N-CA-C 112.136 0.421 . . . . 0.0 112.136 179.539 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -120.06 -10.15 9.48 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 116.67 -0.241 . . . . 0.0 111.421 179.433 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 79.27 9.55 86.89 Favored Glycine 0 C--N 1.334 0.459 0 C-N-CA 120.884 -0.674 . . . . 0.0 113.167 179.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -123.43 167.46 13.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.949 0.404 . . . . 0.0 111.363 -179.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.76 HG13 HD11 ' A' ' 158' ' ' LEU . 20.1 mm -108.5 99.18 8.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.399 -179.419 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . 0.425 ' O ' ' N ' ' A' ' 123' ' ' GLU . 1.4 m-20 -85.4 155.24 21.37 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 178.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.402 ' HB2' ' CE2' ' A' ' 142' ' ' PHE . . . -47.22 -37.55 10.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.595 0.236 . . . . 0.0 111.569 -178.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 -71.26 -27.15 63.24 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 110.156 -0.313 . . . . 0.0 110.156 179.258 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 120' ' ' ASN . 37.6 mt-10 -84.05 -47.96 10.39 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 178.706 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . 0.581 ' CE2' HD11 ' A' ' 128' ' ' LEU . 2.4 t80 -57.47 -50.81 71.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.099 0.475 . . . . 0.0 110.874 179.685 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -55.48 -45.38 76.97 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.016 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -56.71 -31.33 64.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.867 -179.535 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' TRP . . . . . 0.476 ' O ' ' HB3' ' A' ' 130' ' ' ALA . 12.7 t90 -87.81 -36.44 17.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.603 0.239 . . . . 0.0 111.594 -178.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.581 HD11 ' CE2' ' A' ' 124' ' ' PHE . 0.9 OUTLIER -62.73 -41.9 99.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.149 0.499 . . . . 0.0 110.418 179.836 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 39.6 p -71.28 -21.86 62.03 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.073 178.569 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . 0.476 ' HB3' ' O ' ' A' ' 127' ' ' TRP . . . -64.7 -37.34 87.26 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.4 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 38.6 mt -89.12 -13.06 39.37 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 112.226 0.454 . . . . 0.0 112.226 -178.475 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 122.46 29.59 1.29 Allowed Glycine 0 N--CA 1.453 -0.2 0 C-N-CA 119.943 -1.122 . . . . 0.0 113.848 179.226 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' MET . . . . . . . . . . . . . 18.9 mmt -103.18 151.94 22.03 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 178.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.34 163.66 21.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.934 0.397 . . . . 0.0 111.289 -179.491 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 1.3 ttmm -65.01 -26.54 68.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.177 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -78.86 -25.42 43.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.86 179.382 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -73.56 -44.51 57.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.608 -179.552 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . 0.567 ' HA ' HD13 ' A' ' 128' ' ' LEU . . . -58.79 -56.28 24.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.803 -179.758 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -48.61 -44.0 36.73 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.197 179.643 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.5 -48.99 58.8 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.464 -179.56 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . 0.571 ' O ' HG23 ' A' ' 145' ' ' VAL . . . -62.01 -36.08 80.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.721 -179.049 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 142' ' ' PHE . . . . . 0.402 ' CE2' ' HB2' ' A' ' 121' ' ' ALA . 44.0 t80 -55.31 -59.32 4.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.856 179.584 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -58.58 -34.34 70.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.733 -0.667 . . . . 0.0 112.277 -179.723 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -65.73 -38.63 89.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.966 -178.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . 0.571 HG23 ' O ' ' A' ' 141' ' ' ALA . 20.5 t -82.93 -28.58 8.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 N-CA-C 112.551 0.574 . . . . 0.0 112.551 -178.258 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.14 78.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.054 0.454 . . . . 0.0 111.239 -179.386 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 147' ' ' THR . . . . . 0.452 ' N ' ' O ' ' A' ' 145' ' ' VAL . 17.0 m -56.48 -35.98 68.59 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.661 -0.699 . . . . 0.0 112.289 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 49.4 p-10 -97.12 6.59 48.24 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.234 0.457 . . . . 0.0 112.234 -178.511 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 40.29 37.31 1.1 Allowed Glycine 0 C--N 1.335 0.496 0 C-N-CA 121.087 -0.577 . . . . 0.0 113.325 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 23.2 p-10 -92.56 -6.87 48.67 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.526 0.203 . . . . 0.0 111.504 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 89.34 3.29 75.58 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.581 -0.819 . . . . 0.0 113.425 179.168 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -132.18 133.48 44.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 117.463 0.631 . . . . 0.0 110.712 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 0.467 ' HA ' HD23 ' A' ' 153' ' ' LEU . 7.6 mt -97.74 100.12 11.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.861 178.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 3.0 t -86.8 164.31 16.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.121 0.486 . . . . 0.0 111.606 -178.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 155' ' ' LEU . . . . . 0.472 HD11 ' CG ' ' A' ' 105' ' ' LYS . 3.1 mt -45.47 -44.96 12.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.1 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -56.46 -58.76 6.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.131 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -66.07 -14.84 62.42 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.706 -0.679 . . . . 0.0 112.585 -178.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 158' ' ' LEU . . . . . 0.76 HD11 HG13 ' A' ' 119' ' ' ILE . 10.9 mt -70.06 -50.15 43.99 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.919 0.39 . . . . 0.0 110.91 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 0.636 ' N ' HD23 ' A' ' 159' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.331 -0.233 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.478 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.233 0.208 0 CA-C-O 121.012 0.434 . . . . 0.0 110.846 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.98 -45.09 90.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.818 -0.628 . . . . 0.0 112.125 -179.267 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 m -58.99 -57.04 14.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.816 0.341 . . . . 0.0 111.566 -179.387 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -49.07 -51.5 31.06 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 -178.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 17.7 tpp180 -60.47 -44.54 95.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.773 0.321 . . . . 0.0 111.58 -178.534 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.781 HD13 HG23 ' A' ' 81' ' ' ILE . 17.0 mt -78.11 -35.19 49.53 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.144 0.424 . . . . 0.0 112.144 -178.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.5 tmtt? -57.84 -54.34 47.99 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.308 -179.428 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.0 mttp -59.69 -45.9 90.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.247 -179.664 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -48.94 -27.47 3.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.878 0.371 . . . . 0.0 111.346 -179.606 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.476 ' CD1' ' HB2' ' A' ' 77' ' ' GLU . 70.3 t80 -72.17 -51.7 20.02 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.712 -179.844 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -69.36 -26.26 64.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.711 179.729 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -76.97 -20.13 56.49 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.639 179.384 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -108.59 77.97 1.12 Allowed 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.844 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -153.51 82.01 1.17 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.537 0.684 . . . . 0.0 110.958 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -54.98 -48.82 72.77 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 114.836 -1.074 . . . . 0.0 112.59 -178.495 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 15.6 p-10 -97.11 -13.23 22.31 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 111.864 0.32 . . . . 0.0 111.864 -179.457 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 75.06 47.64 12.94 Favored Glycine 0 C--N 1.331 0.293 0 C-N-CA 120.584 -0.817 . . . . 0.0 112.483 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.5 p-10 -97.19 -8.97 28.72 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.235 0.457 . . . . 0.0 112.235 -179.454 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 80.32 22.75 62.16 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.373 -0.918 . . . . 0.0 112.52 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -155.72 172.52 18.18 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 110.318 -0.253 . . . . 0.0 110.318 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.5 mp -112.54 119.96 39.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.763 0.316 . . . . 0.0 110.648 179.621 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -119.28 168.51 10.84 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.049 179.494 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 39.3 ptt85 -71.59 -34.59 70.03 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.225 -179.472 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.67 -20.32 55.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.012 179.623 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 43.9 m-20 -70.92 -24.47 62.46 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.789 0.328 . . . . 0.0 110.275 179.547 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.436 ' HB3' ' HB3' ' A' ' 56' ' ' PHE . 19.0 m-85 -77.95 -35.15 50.7 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.266 -179.775 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -65.71 -37.59 86.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.817 0.341 . . . . 0.0 110.245 179.552 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.37 -45.44 72.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.811 179.687 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.409 ' O ' HG13 ' A' ' 36' ' ' ILE . 4.2 tt0 -47.94 -67.08 0.31 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.357 179.802 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -45.07 -47.54 11.9 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.938 0.399 . . . . 0.0 111.203 179.356 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -61.36 -55.9 26.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.969 -0.559 . . . . 0.0 109.868 179.543 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -52.7 -27.82 19.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.49 179.756 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.409 HG13 ' O ' ' A' ' 32' ' ' GLU . 96.2 mt -77.68 -57.54 5.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.55 179.122 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -40.92 -46.0 2.68 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.774 -179.622 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -57.89 -40.29 79.93 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.635 179.726 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.26 -27.54 69.41 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.728 179.257 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -90.97 1.23 57.21 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.602 -179.741 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 67.84 13.43 63.86 Favored Glycine 0 C--N 1.332 0.341 0 C-N-CA 120.705 -0.76 . . . . 0.0 113.304 179.516 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 56.3 mmtt -91.63 155.06 18.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.782 0.325 . . . . 0.0 110.761 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -70.84 129.8 40.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.363 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.536 ' O ' HG11 ' A' ' 49' ' ' VAL . . . -67.6 -15.63 63.76 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.799 -179.575 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -102.09 16.97 55.13 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.285 -0.96 . . . . 0.0 113.42 -179.19 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.05 -170.49 0.35 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.867 0.333 . . . . 0.0 110.772 179.354 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -89.5 -45.14 9.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.004 0.431 . . . . 0.0 111.076 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -62.2 -23.62 66.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.992 -179.087 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.536 HG11 ' O ' ' A' ' 44' ' ' ALA . 7.7 p -75.94 -45.13 37.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.457 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.491 ' N ' HG13 ' A' ' 49' ' ' VAL . 10.5 tt0 -61.9 -39.3 91.53 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 179.118 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 94.5 m -60.49 -54.98 39.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 109.965 178.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 11.6 tp -52.27 -59.54 4.28 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.515 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.3 mttt -50.93 -37.07 41.93 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 121.002 0.429 . . . . 0.0 110.025 179.348 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -58.6 -44.21 89.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.22 179.277 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.441 ' CB ' ' O ' ' A' ' 102' ' ' PRO . . . -69.37 -46.23 67.45 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.018 179.633 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.436 ' HB3' ' HB3' ' A' ' 29' ' ' PHE . 0.4 OUTLIER -55.12 -30.86 60.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.496 179.789 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -62.63 -51.11 58.4 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.508 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -61.89 -28.02 69.55 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.586 -0.816 . . . . 0.0 112.512 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.768 HD13 HG21 ' A' ' 103' ' ' VAL . 12.5 tp -56.84 -35.38 68.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.751 0.31 . . . . 0.0 110.622 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 50.7 t80 -64.52 -40.24 95.25 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.62 179.33 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -42.39 -51.69 4.84 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.629 -179.788 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.413 ' OH ' ' NE2' ' A' ' 91' ' ' GLN . 16.1 t80 -58.9 -35.1 72.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.035 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 86.5 mt -66.55 -60.19 2.95 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.797 0.332 . . . . 0.0 110.755 -179.714 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.814 ' HB1' ' O ' ' A' ' 69' ' ' VAL . . . -54.34 -45.07 72.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.349 179.724 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.37 -53.96 40.41 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.091 0.472 . . . . 0.0 110.519 179.819 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.528 ' HG2' HG13 ' A' ' 83' ' ' VAL . 5.4 tp10 -62.07 -41.47 98.19 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.017 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -77.2 -26.35 52.73 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.515 -179.403 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 64' ' ' ALA . . . 103.01 2.0 48.69 Favored Glycine 0 CA--C 1.521 0.429 0 C-N-CA 120.69 -0.767 . . . . 0.0 114.366 178.759 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.814 ' O ' ' HB1' ' A' ' 64' ' ' ALA . 31.6 m -102.96 173.41 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 117.244 0.522 . . . . 0.0 110.923 179.766 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -88.17 -179.63 46.98 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 121.146 -0.549 . . . . 0.0 114.117 -178.489 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.23 -16.41 61.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.332 -0.434 . . . . 0.0 111.643 178.754 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 7.4 p30 -111.73 14.41 21.13 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 111.622 0.231 . . . . 0.0 111.622 -179.679 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -93.79 -166.52 37.45 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.454 -0.879 . . . . 0.0 112.655 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -141.95 154.75 45.29 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.949 0.404 . . . . 0.0 111.369 -179.469 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.7 mp -113.15 136.61 52.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.362 179.56 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 5.6 p -83.84 -172.87 4.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.659 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.476 ' HB2' ' CD1' ' A' ' 13' ' ' PHE . 1.0 OUTLIER -81.45 -51.48 8.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.815 0.341 . . . . 0.0 110.453 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -55.5 -34.38 64.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.799 179.164 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -73.96 -42.06 61.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.947 179.125 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.465 ' CE1' ' OG1' ' A' ' 84' ' ' THR . 32.1 t80 -52.84 -51.42 61.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.79 179.194 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.781 HG23 HD13 ' A' ' 9' ' ' LEU . 10.7 mt -56.22 -49.14 77.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.215 -179.786 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.66 -50.61 72.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.327 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.528 HG13 ' HG2' ' A' ' 66' ' ' GLU . 32.4 t -72.89 -43.49 59.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.894 -179.406 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.465 ' OG1' ' CE1' ' A' ' 80' ' ' PHE . 79.5 m -60.6 -47.42 86.28 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.99 0.424 . . . . 0.0 110.229 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -53.03 -49.66 65.82 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.279 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.443 ' O ' ' N ' ' A' ' 90' ' ' GLU . 77.8 m-20 -59.52 -40.06 85.9 Favored 'General case' 0 C--N 1.334 -0.083 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.346 -179.798 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 6.3 mt -58.33 -43.67 88.36 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.876 0.369 . . . . 0.0 110.28 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 10.2 mt -71.75 -34.5 52.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.247 179.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 30.6 m-85 -92.89 -74.81 0.51 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.606 -179.392 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 86' ' ' ASN . 0.0 OUTLIER -66.93 -157.17 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.981 -179.782 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.419 ' HB2' ' O ' ' A' ' 90' ' ' GLU . 3.3 mp0 70.32 -90.22 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.903 -179.741 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 128.69 -179.47 16.6 Favored Glycine 0 C--N 1.331 0.295 0 C-N-CA 120.202 -0.999 . . . . 0.0 113.172 179.638 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -59.05 -63.06 1.44 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.13 0.49 . . . . 0.0 110.874 179.66 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -59.03 -16.99 21.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.589 -0.732 . . . . 0.0 112.086 -179.334 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.91 -48.32 16.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.026 0.441 . . . . 0.0 110.454 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.596 ' CE1' HD22 ' A' ' 100' ' ' LEU . 0.3 OUTLIER -72.22 -38.01 69.08 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.823 179.591 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.445 ' HA ' HD13 ' A' ' 159' ' ' LEU . 16.8 m-20 -69.29 -35.65 76.24 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.396 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 5.7 mtp85 -62.14 -64.56 0.89 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.963 0.411 . . . . 0.0 111.482 -179.569 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 6.3 p -70.72 -39.69 76.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 112.842 0.682 . . . . 0.0 112.842 -177.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.596 HD22 ' CE1' ' A' ' 96' ' ' PHE . 2.7 tp -86.13 -26.58 25.14 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 119.967 -0.693 . . . . 0.0 112.217 -177.286 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -43.39 -62.87 2.31 Favored Glycine 0 CA--C 1.521 0.444 0 C-N-CA 120.521 -0.847 . . . . 0.0 112.329 179.465 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.441 ' O ' ' CB ' ' A' ' 55' ' ' ALA . 35.5 Cg_exo -59.02 -19.6 49.27 Favored 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 122.489 2.126 . . . . 0.0 112.049 179.432 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.768 HG21 HD13 ' A' ' 59' ' ' LEU . 6.2 t -78.15 -50.56 19.28 Favored 'Isoleucine or valine' 0 C--O 1.232 0.172 0 C-N-CA 120.857 -0.337 . . . . 0.0 110.829 -179.82 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.586 ' O ' HG23 ' A' ' 108' ' ' VAL . 59.0 t -69.66 -34.58 61.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.108 0.48 . . . . 0.0 110.263 178.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.83 -56.96 13.72 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.735 179.297 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -45.83 -35.58 6.12 Favored Glycine 0 C--N 1.331 0.255 0 C-N-CA 120.934 -0.65 . . . . 0.0 112.627 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.545 HG21 ' CZ2' ' A' ' 127' ' ' TRP . 13.5 mt -75.95 -39.01 36.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.628 0.251 . . . . 0.0 111.346 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.729 HG13 HD11 ' A' ' 119' ' ' ILE . 36.0 t -61.72 -35.05 65.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.965 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -61.67 -37.36 94.11 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.474 -0.869 . . . . 0.0 112.124 179.687 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -79.93 -26.47 40.11 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.525 0.202 . . . . 0.0 110.497 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 17.3 m -94.04 45.83 1.15 Allowed 'General case' 0 CA--C 1.52 -0.184 0 CA-C-O 121.334 0.588 . . . . 0.0 111.293 -178.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -166.68 108.33 0.69 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.221 -0.9 . . . . 0.0 110.313 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 2.3 mttp -95.03 3.35 54.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.425 179.041 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 25.4 p30 -104.37 -19.54 14.03 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-O 120.788 0.328 . . . . 0.0 110.596 179.484 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . 65.85 58.15 0.78 Allowed 'General case' 0 C--O 1.232 0.147 0 CA-C-N 116.283 -0.417 . . . . 0.0 112.006 179.099 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 55.6 p30 -114.59 -12.73 12.21 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.701 -0.227 . . . . 0.0 111.394 179.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 82.6 5.56 89.36 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.636 -0.793 . . . . 0.0 113.108 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -122.35 161.01 24.2 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.052 0.453 . . . . 0.0 111.516 -179.556 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.729 HD11 HG13 ' A' ' 108' ' ' VAL . 27.3 mm -108.81 99.99 9.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.823 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . 0.433 ' O ' ' N ' ' A' ' 123' ' ' GLU . 1.5 m120 -84.95 155.73 21.49 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 179.191 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -45.75 -36.63 5.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.582 0.23 . . . . 0.0 111.531 -178.707 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -70.1 -28.74 65.65 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.696 0.284 . . . . 0.0 110.371 179.305 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 120' ' ' ASN . 35.7 mt-10 -83.66 -47.62 11.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.614 -0.266 . . . . 0.0 110.782 179.331 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -55.8 -44.46 77.81 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.126 0.489 . . . . 0.0 110.453 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -58.21 -43.99 87.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.08 179.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -54.57 -32.7 59.01 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 115.921 -0.581 . . . . 0.0 112.553 -179.4 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' TRP . . . . . 0.602 ' NE1' HD11 ' A' ' 131' ' ' LEU . 15.8 t90 -89.49 -32.82 17.02 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.708 0.29 . . . . 0.0 111.671 -178.671 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.633 HD23 ' HG3' ' A' ' 133' ' ' MET . 0.1 OUTLIER -63.77 -46.18 86.4 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.922 0.391 . . . . 0.0 110.724 179.838 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . 0.434 ' HA ' ' O ' ' A' ' 133' ' ' MET . 36.0 p -69.8 -22.34 63.32 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.994 178.704 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . 0.403 ' HB3' ' O ' ' A' ' 127' ' ' TRP . . . -66.36 -39.11 88.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.433 179.72 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.602 HD11 ' NE1' ' A' ' 127' ' ' TRP . 1.3 mt -88.36 -4.99 58.57 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 112.781 0.66 . . . . 0.0 112.781 -178.307 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 114.7 25.98 3.78 Favored Glycine 0 CA--C 1.517 0.218 0 C-N-CA 119.813 -1.185 . . . . 0.0 113.972 178.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' MET . . . . . 0.633 ' HG3' HD23 ' A' ' 128' ' ' LEU . 2.9 mmt -104.2 152.44 22.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 117.529 0.665 . . . . 0.0 110.615 179.422 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.18 160.07 24.45 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.863 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 3.2 mtpp -64.28 -22.13 66.84 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 111.952 0.353 . . . . 0.0 111.952 -178.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -81.71 -25.64 35.29 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.854 0.359 . . . . 0.0 111.403 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -73.19 -40.18 64.99 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.45 -179.63 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . 0.481 ' HA ' HD13 ' A' ' 128' ' ' LEU . . . -61.08 -56.22 23.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.866 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -47.51 -42.22 22.65 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.965 179.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -70.91 -45.32 64.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.334 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . 0.783 ' O ' HG23 ' A' ' 145' ' ' VAL . . . -64.04 -33.97 76.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.198 -179.524 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 81.1 t80 -56.69 -60.51 3.45 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.117 0.484 . . . . 0.0 110.197 179.327 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 67.6 m-20 -56.67 -34.95 67.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.542 -0.754 . . . . 0.0 112.537 -179.552 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -69.75 -28.58 65.9 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-O 120.725 0.298 . . . . 0.0 111.339 -179.005 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . 0.783 HG23 ' O ' ' A' ' 141' ' ' ALA . 44.6 t -85.78 -35.84 9.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.176 -0.466 . . . . 0.0 112.044 -178.465 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.75 78.08 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.047 0.451 . . . . 0.0 111.138 -179.388 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 147' ' ' THR . . . . . 0.448 ' N ' ' O ' ' A' ' 145' ' ' VAL . 0.0 OUTLIER -56.86 -31.36 64.72 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.675 179.463 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 48.6 p30 -97.85 5.11 49.45 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.23 -0.441 . . . . 0.0 112.074 -178.72 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 39.79 37.73 0.99 Allowed Glycine 0 C--N 1.335 0.511 0 C-N-CA 121.097 -0.573 . . . . 0.0 113.151 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 27.9 p-10 -92.89 -6.61 48.26 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 111.596 0.221 . . . . 0.0 111.596 -179.692 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 89.58 3.54 74.46 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.547 -0.835 . . . . 0.0 113.424 179.147 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -134.0 135.49 43.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 117.426 0.613 . . . . 0.0 110.772 179.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 153' ' ' LEU . 32.6 mt -102.91 100.04 9.98 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.915 178.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 23.9 p -88.29 171.77 9.93 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.281 0.562 . . . . 0.0 111.887 -178.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -50.79 -45.27 59.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.406 -0.815 . . . . 0.0 111.667 -179.604 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -57.15 -55.55 33.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.335 0.588 . . . . 0.0 111.106 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -64.79 -17.58 64.32 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.407 -0.815 . . . . 0.0 112.517 -178.496 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 158' ' ' LEU . . . . . 0.612 HD11 HG13 ' A' ' 119' ' ' ILE . 1.6 mt -72.6 -65.44 0.79 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.915 0.388 . . . . 0.0 110.944 179.479 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 0.445 HD13 ' HA ' ' A' ' 97' ' ' ASN . 3.0 mt . . . . . 0 N--CA 1.468 0.464 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.054 -179.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 30.2 mm . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.966 0.412 . . . . 0.0 111.228 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.25 -37.5 87.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.9 -179.403 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.9 t -59.68 -59.09 6.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.888 0.375 . . . . 0.0 110.862 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -45.3 -49.04 13.0 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.742 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.49 -46.15 89.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.68 -179.098 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.46 HD13 HG23 ' A' ' 81' ' ' ILE . 55.0 mt -76.08 -33.04 59.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.79 0.328 . . . . 0.0 111.223 -179.162 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.26 -47.99 83.49 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.459 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.5 mttt -66.25 -44.94 82.25 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.59 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.1 -28.66 1.84 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.723 179.598 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 43.1 t80 -75.36 -53.03 9.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.382 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -67.75 -28.3 67.52 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.543 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.7 ttp180 -76.55 -17.96 58.94 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.279 179.675 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -116.85 83.15 1.92 Allowed 'General case' 0 N--CA 1.455 -0.223 0 CA-C-O 121.079 0.466 . . . . 0.0 110.844 -179.839 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -153.41 86.36 1.22 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.574 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -52.92 -50.77 63.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.419 -0.81 . . . . 0.0 112.009 -178.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 26.6 p-10 -99.22 -11.32 21.42 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 -179.121 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 69.34 42.88 72.82 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.405 -0.902 . . . . 0.0 112.112 -179.691 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 20.0 p-10 -89.34 -4.85 57.93 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 111.81 0.3 . . . . 0.0 111.81 -179.322 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 82.17 18.98 65.78 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.561 -0.828 . . . . 0.0 112.811 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.513 ' HB1' ' HB3' ' A' ' 74' ' ' SER . . . -154.66 179.61 8.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.621 0.248 . . . . 0.0 110.552 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.3 tp -118.75 123.31 44.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.737 0.303 . . . . 0.0 110.63 179.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -115.76 170.7 8.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.015 0.436 . . . . 0.0 110.395 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.422 ' HA ' ' CD2' ' A' ' 60' ' ' PHE . 0.0 OUTLIER -69.59 -30.6 68.4 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.634 179.795 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.38 -16.26 63.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.132 179.585 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.29 -33.61 63.29 Favored 'General case' 0 C--O 1.232 0.146 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 179.095 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.425 ' HB3' ' HB3' ' A' ' 56' ' ' PHE . 57.1 m-85 -75.21 -41.18 58.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.386 179.561 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -64.47 -39.92 94.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.959 179.376 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 55.7 mttm -66.44 -40.54 89.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.127 0.489 . . . . 0.0 109.805 179.107 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.419 ' O ' HG13 ' A' ' 36' ' ' ILE . 4.9 tp10 -53.06 -60.46 3.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.063 179.432 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -45.2 -49.33 12.29 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.902 0.382 . . . . 0.0 111.316 179.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -62.37 -47.41 84.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.273 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 1.7 t-160 -57.04 -42.78 81.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.803 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.419 HG13 ' O ' ' A' ' 32' ' ' GLU . 19.9 mt -64.05 -56.28 17.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.719 179.652 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.461 ' HB1' HG22 ' A' ' 49' ' ' VAL . . . -42.48 -39.18 2.16 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 121.09 0.471 . . . . 0.0 111.021 179.652 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.38 -39.4 90.56 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.258 179.617 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.39 -25.94 64.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.971 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.429 ' CZ ' ' SG ' ' A' ' 111' ' ' CYS . 1.8 m-85 -91.94 3.21 55.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.389 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 51.68 72.01 0.57 Allowed Glycine 0 C--N 1.333 0.387 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.98 179.512 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -150.45 28.89 0.71 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.76 0.314 . . . . 0.0 110.377 179.716 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 60.48 131.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.187 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.91 -8.75 39.3 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.703 -0.68 . . . . 0.0 112.265 -179.483 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -104.06 13.86 52.3 Favored Glycine 0 CA--C 1.52 0.377 0 C-N-CA 120.216 -0.992 . . . . 0.0 114.146 -178.694 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.722 ' HB3' HG23 ' A' ' 49' ' ' VAL . . . -68.92 171.76 7.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 117.241 0.52 . . . . 0.0 111.151 179.416 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.59 -45.91 67.51 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.096 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -63.57 -20.89 66.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.499 -179.298 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.722 HG23 ' HB3' ' A' ' 46' ' ' ALA . 14.6 t -76.88 -45.73 30.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 179.521 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 36.2 tp60 -60.06 -39.1 84.86 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 178.733 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 14.6 m -57.42 -59.62 4.87 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.667 179.298 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 24.9 tp -50.69 -57.28 8.67 Favored 'General case' 0 C--N 1.332 -0.163 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.408 -179.525 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 11.0 tttp -49.78 -43.58 48.39 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.714 0.292 . . . . 0.0 110.436 179.44 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -57.65 -43.4 84.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.033 179.508 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.31 -51.47 36.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.681 179.331 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.425 ' HB3' ' HB3' ' A' ' 29' ' ' PHE . 0.1 OUTLIER -52.44 -28.49 20.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.601 179.689 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -67.55 -52.28 31.3 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.55 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -57.76 -28.42 60.27 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.643 -0.789 . . . . 0.0 111.999 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 51.5 tp -59.34 -39.24 82.54 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.712 0.291 . . . . 0.0 110.813 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.422 ' CD2' ' HA ' ' A' ' 26' ' ' ARG . 11.8 t80 -61.13 -43.48 98.82 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.239 179.468 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -43.87 -42.59 5.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.761 0.315 . . . . 0.0 111.11 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.433 ' O ' ' HB2' ' A' ' 66' ' ' GLU . 13.7 t80 -59.25 -41.87 89.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.493 179.613 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 59.5 mt -63.64 -54.29 38.02 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.115 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.709 ' HB1' ' O ' ' A' ' 69' ' ' VAL . . . -53.81 -48.72 69.6 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 16.0 tttt -64.4 -50.84 66.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.734 0.302 . . . . 0.0 111.386 -179.433 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.433 ' HB2' ' O ' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -62.64 -40.24 96.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.254 179.733 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -78.55 -25.33 45.41 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.815 0.341 . . . . 0.0 111.607 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 101.02 6.93 51.24 Favored Glycine 0 CA--C 1.52 0.397 0 C-N-CA 120.612 -0.804 . . . . 0.0 113.946 179.036 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.709 ' O ' ' HB1' ' A' ' 64' ' ' ALA . 35.2 m -106.04 170.92 2.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.845 0.322 . . . . 0.0 110.487 179.494 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -86.9 178.58 48.44 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.875 -0.679 . . . . 0.0 114.122 -178.45 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 54.5 m -65.21 -13.14 57.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.266 -0.467 . . . . 0.0 111.097 178.207 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -112.49 12.63 20.02 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 116.776 -0.193 . . . . 0.0 111.496 -179.746 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -94.66 -165.18 35.87 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.469 -0.872 . . . . 0.0 112.779 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.513 ' HB3' ' HB1' ' A' ' 23' ' ' ALA . 0.4 OUTLIER -144.15 157.04 44.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.845 0.355 . . . . 0.0 110.924 -179.759 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.7 mp -118.07 142.54 47.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.535 179.325 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 59.6 p -86.77 169.11 12.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.934 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -60.38 -48.51 81.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.609 179.702 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -59.11 -33.46 70.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.798 179.645 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.401 ' O ' HG12 ' A' ' 83' ' ' VAL . 0.3 OUTLIER -73.21 -42.9 62.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.022 0.439 . . . . 0.0 110.189 179.336 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.424 ' CD1' ' OG1' ' A' ' 84' ' ' THR . 7.4 t80 -52.27 -52.78 50.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.606 179.364 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.46 HG23 HD13 ' A' ' 9' ' ' LEU . 62.7 mt -51.31 -53.78 14.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.877 -179.455 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -55.94 -57.19 13.13 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.395 0.517 . . . . 0.0 112.395 -179.036 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.401 HG12 ' O ' ' A' ' 79' ' ' GLN . 13.9 p -70.48 -36.73 67.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 111.957 0.354 . . . . 0.0 111.957 -179.059 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.424 ' OG1' ' CD1' ' A' ' 80' ' ' PHE . 99.6 m -62.7 -46.88 86.08 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.836 0.35 . . . . 0.0 110.143 179.753 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.41 ' HB2' ' O ' ' A' ' 81' ' ' ILE . 0.4 OUTLIER -49.69 -49.78 46.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.454 -179.743 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -58.29 -34.93 71.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.714 -179.25 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 6.2 mt -59.8 -48.78 80.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.767 0.317 . . . . 0.0 111.077 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 3.0 mt -73.67 -39.34 53.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.085 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 -88.06 -84.49 0.2 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.786 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -62.2 -161.88 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.821 0.343 . . . . 0.0 110.718 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 74.01 125.96 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.962 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -61.02 159.02 28.96 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.714 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.88 -54.41 45.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.887 0.375 . . . . 0.0 111.172 -179.658 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.86 -11.12 11.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.017 -0.538 . . . . 0.0 112.398 -179.682 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.8 t -74.56 -44.39 51.21 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.928 0.394 . . . . 0.0 111.016 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.531 ' CE1' HD22 ' A' ' 100' ' ' LEU . 0.2 OUTLIER -68.34 -42.71 78.9 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.096 0.474 . . . . 0.0 110.8 179.902 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 41.8 t30 -67.15 -35.42 79.66 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.342 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.89 -62.69 1.48 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.93 -179.456 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 21.6 t -74.3 -36.21 42.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 N-CA-C 112.64 0.607 . . . . 0.0 112.64 -177.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.531 HD22 ' CE1' ' A' ' 96' ' ' PHE . 5.4 tp -89.17 -27.11 20.9 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 119.72 -0.792 . . . . 0.0 111.806 -178.165 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.452 ' N ' ' HD2' ' A' ' 102' ' ' PRO . . . -40.55 -58.58 2.5 Favored Glycine 0 CA--C 1.522 0.501 0 C-N-CA 121.114 -0.565 . . . . 0.0 112.847 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.452 ' HD2' ' N ' ' A' ' 101' ' ' GLY . 29.4 Cg_endo -65.03 -11.39 29.61 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.55 2.167 . . . . 0.0 112.405 179.564 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 48.0 t -80.57 -54.98 9.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.933 0.397 . . . . 0.0 110.841 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.415 HG11 HD22 ' A' ' 158' ' ' LEU . 3.3 t -69.39 -35.82 68.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.89 179.771 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 21.6 mtpt -56.57 -55.26 36.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.82 179.542 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -46.09 -32.1 4.71 Favored Glycine 0 C--N 1.332 0.336 0 C-N-CA 121.04 -0.6 . . . . 0.0 112.788 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 42.9 mt -73.56 -40.37 55.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.134 0.492 . . . . 0.0 110.752 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.765 HG22 HD11 ' A' ' 119' ' ' ILE . 33.6 t -63.96 -35.02 72.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.659 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -65.41 -36.45 92.65 Favored Glycine 0 CA--C 1.518 0.253 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.858 -179.671 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 14.8 ptp -79.28 -24.95 42.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.799 0.299 . . . . 0.0 110.993 -179.349 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . 0.482 ' O ' ' N ' ' A' ' 113' ' ' LYS . 35.6 t -95.26 -84.99 0.33 Allowed 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.51 0.559 . . . . 0.0 112.51 -178.156 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . 0.459 ' O ' ' HB2' ' A' ' 113' ' ' LYS . 3.9 m-20 19.35 -81.02 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 124.332 1.053 . . . . 0.0 112.449 -178.587 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' A' ' 111' ' ' CYS . 0.1 OUTLIER 91.69 -20.77 0.11 Allowed 'General case' 0 N--CA 1.457 -0.124 0 C-N-CA 124.274 1.03 . . . . 0.0 111.422 -178.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . 0.411 ' O ' ' HB3' ' A' ' 115' ' ' ALA . 6.1 p30 -107.35 -22.45 12.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.669 0.271 . . . . 0.0 110.535 179.445 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.411 ' HB3' ' O ' ' A' ' 114' ' ' ASN . . . 67.42 64.66 0.41 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.655 179.462 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 37.7 p30 -125.28 -8.77 7.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.733 179.309 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 79.55 8.16 87.95 Favored Glycine 0 C--N 1.333 0.392 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.973 179.713 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.88 165.5 15.11 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.051 0.453 . . . . 0.0 111.394 -179.545 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.795 HG13 HD11 ' A' ' 158' ' ' LEU . 38.4 mm -110.33 98.53 7.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.832 -179.698 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -85.43 158.8 20.12 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 179.32 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.434 ' HA ' ' CD1' ' A' ' 142' ' ' PHE . . . -48.77 -37.25 18.49 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 111.567 0.21 . . . . 0.0 111.567 -178.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -70.23 -26.67 63.96 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 179.207 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -83.96 -46.8 11.68 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 178.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . 0.485 ' CE2' HD11 ' A' ' 128' ' ' LEU . 3.8 t80 -56.46 -52.41 64.78 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.962 0.411 . . . . 0.0 110.915 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.557 ' HA ' ' HB1' ' A' ' 138' ' ' ALA . . . -54.98 -44.21 74.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.075 -179.84 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -55.35 -32.45 62.56 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.519 -179.712 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' TRP . . . . . 0.472 ' O ' ' HB3' ' A' ' 130' ' ' ALA . 13.3 t90 -86.53 -40.67 15.02 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 111.62 0.23 . . . . 0.0 111.62 -179.129 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.485 HD11 ' CE2' ' A' ' 124' ' ' PHE . 0.2 OUTLIER -59.56 -42.82 93.29 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.021 0.438 . . . . 0.0 109.84 179.88 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . 0.416 ' HA ' ' O ' ' A' ' 133' ' ' MET . 65.3 p -71.72 -22.92 61.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.911 178.4 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . 0.472 ' HB3' ' O ' ' A' ' 127' ' ' TRP . . . -66.41 -38.55 87.71 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.757 179.458 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 48.6 mt -84.82 -4.37 59.05 Favored 'General case' 0 CA--C 1.529 0.16 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 -178.609 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 112.67 25.82 4.43 Favored Glycine 0 C--N 1.332 0.321 0 C-N-CA 120.168 -1.015 . . . . 0.0 113.815 178.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' MET . . . . . 0.423 ' CG ' ' O ' ' A' ' 128' ' ' LEU . 3.4 mmt -100.08 154.25 18.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 117.159 0.479 . . . . 0.0 110.34 179.256 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -80.25 179.01 7.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.804 0.335 . . . . 0.0 111.147 -179.458 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.93 -32.61 45.67 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.842 -179.181 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -76.56 -26.06 54.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.856 0.36 . . . . 0.0 111.42 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -73.89 -44.98 53.53 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.944 -179.214 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . 0.557 ' HB1' ' HA ' ' A' ' 125' ' ' ALA . . . -58.05 -52.07 67.04 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.911 0.386 . . . . 0.0 110.671 -179.564 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -49.72 -40.4 40.48 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.105 179.399 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -71.6 -44.07 65.09 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.768 -179.515 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . 0.752 ' O ' HG23 ' A' ' 145' ' ' VAL . . . -63.6 -36.72 84.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.52 -179.077 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 142' ' ' PHE . . . . . 0.434 ' CD1' ' HA ' ' A' ' 121' ' ' ALA . 74.0 t80 -55.49 -59.85 4.25 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.652 179.605 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 32.5 m-80 -56.37 -35.38 67.64 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.852 -179.528 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -65.13 -34.18 77.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.505 -179.441 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . 0.752 HG23 ' O ' ' A' ' 141' ' ' ALA . 12.4 t -85.15 -34.32 8.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 112.577 0.584 . . . . 0.0 112.577 -178.429 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.1 78.35 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 121.141 0.496 . . . . 0.0 111.209 -179.081 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 147' ' ' THR . . . . . 0.457 ' N ' ' O ' ' A' ' 145' ' ' VAL . 4.0 m -56.39 -33.83 66.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.405 -0.816 . . . . 0.0 112.955 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 31.0 p30 -95.92 7.41 46.44 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.491 0.552 . . . . 0.0 112.491 -178.205 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 43.01 28.25 0.7 Allowed Glycine 0 C--N 1.332 0.325 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.844 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 28.4 p-10 -86.58 -7.04 58.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.774 0.321 . . . . 0.0 110.87 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 86.98 7.02 78.41 Favored Glycine 0 N--CA 1.444 -0.789 0 C-N-CA 120.691 -0.766 . . . . 0.0 113.108 179.337 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 74.9 mt-10 -133.07 133.45 43.02 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 117.528 0.664 . . . . 0.0 110.851 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 0.433 ' HB2' ' HB ' ' A' ' 119' ' ' ILE . 43.7 mt -98.37 101.5 12.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.154 179.11 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 9.6 p -89.19 167.48 13.07 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.242 0.544 . . . . 0.0 112.165 -178.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -49.91 -46.07 51.57 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.35 -0.841 . . . . 0.0 111.292 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -57.44 -54.76 43.21 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.066 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -64.67 -19.34 65.67 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.731 -0.668 . . . . 0.0 112.441 -178.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 158' ' ' LEU . . . . . 0.795 HD11 HG13 ' A' ' 119' ' ' ILE . 0.2 OUTLIER -72.01 -56.9 4.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.663 179.562 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 0.409 ' N ' HD23 ' A' ' 159' ' ' LEU . 2.5 mt . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.253 -179.645 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 23.9 mm . . . . . 0 N--CA 1.456 -0.173 0 CA-C-O 120.98 0.419 . . . . 0.0 110.235 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.44 -52.31 62.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.701 -0.682 . . . . 0.0 111.433 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.416 ' O ' ' HB2' ' A' ' 10' ' ' LYS . 2.4 p -58.98 -52.16 66.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.818 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.69 -52.77 54.55 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.634 -179.644 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.59 -46.07 90.01 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 -178.612 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.943 HD13 HG23 ' A' ' 81' ' ' ILE . 13.7 mt -75.27 -33.14 61.22 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 121.075 -0.25 . . . . 0.0 111.5 -178.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.416 ' HB2' ' O ' ' A' ' 6' ' ' SER . 0.6 OUTLIER -61.04 -44.64 97.09 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.844 0.354 . . . . 0.0 110.602 179.742 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.414 ' O ' ' N ' ' A' ' 15' ' ' ARG . 5.0 mmtm -68.65 -45.1 72.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.182 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -46.77 -33.86 4.76 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.983 0.42 . . . . 0.0 111.006 179.678 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -74.81 -54.53 7.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.874 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -69.51 -17.89 63.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.311 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.414 ' N ' ' O ' ' A' ' 11' ' ' LYS . 2.5 ttt180 -72.63 -21.94 61.03 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.723 0.297 . . . . 0.0 111.066 -179.646 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 43.1 m95 -97.02 -100.23 0.19 Allowed 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.875 179.652 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 42.25 72.04 0.19 Allowed 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 121.144 0.497 . . . . 0.0 111.413 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -53.91 -50.35 66.59 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.77 -178.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 41.1 p-10 -97.84 -11.88 22.77 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 111.767 0.284 . . . . 0.0 111.767 -179.594 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 78.33 43.48 12.88 Favored Glycine 0 C--N 1.331 0.28 0 C-N-CA 120.535 -0.84 . . . . 0.0 111.9 -179.294 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 32.3 p-10 -93.1 -12.62 30.04 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 111.855 0.317 . . . . 0.0 111.855 -179.488 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 81.69 20.83 62.92 Favored Glycine 0 C--N 1.332 0.309 0 C-N-CA 120.533 -0.842 . . . . 0.0 112.523 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.563 ' HB1' ' HB2' ' A' ' 74' ' ' SER . . . -153.92 173.35 16.07 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.654 0.264 . . . . 0.0 110.561 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 43.2 mt -113.89 115.13 27.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.8 0.333 . . . . 0.0 110.307 179.435 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -114.24 171.29 7.7 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.08 0.467 . . . . 0.0 110.425 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 8.4 ttt-85 -64.44 -32.06 73.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.568 179.617 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.11 -21.46 64.04 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.681 -0.691 . . . . 0.0 111.618 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.01 -32.48 70.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.798 0.332 . . . . 0.0 110.156 179.797 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 73.6 m-85 -78.4 -40.88 34.76 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.367 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 -62.25 -37.71 86.48 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.63 -0.259 . . . . 0.0 110.408 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -65.89 -44.4 85.39 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.967 0.413 . . . . 0.0 110.115 179.505 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.422 ' O ' HG12 ' A' ' 36' ' ' ILE . 0.6 OUTLIER -52.45 -53.15 49.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.512 179.834 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -50.44 -51.55 45.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.809 0.338 . . . . 0.0 110.734 179.48 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.54 -49.39 77.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.162 179.539 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 35.5 t-80 -51.99 -27.1 12.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.374 179.668 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.422 HG12 ' O ' ' A' ' 32' ' ' GLU . 17.6 mm -79.23 -53.45 13.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.023 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -46.12 -44.65 15.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.607 -179.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.77 -40.99 97.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.616 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -54.4 -24.15 18.66 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.722 0.296 . . . . 0.0 110.858 -179.367 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -91.85 5.05 51.42 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.496 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 57.7 16.69 24.38 Favored Glycine 0 C--N 1.336 0.538 0 C-N-CA 120.85 -0.69 . . . . 0.0 112.776 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.85 -153.3 0.35 Allowed 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 110.34 -0.244 . . . . 0.0 110.34 179.73 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -70.51 -163.5 0.07 Allowed 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.863 0.363 . . . . 0.0 111.088 -179.592 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.449 ' O ' HG11 ' A' ' 49' ' ' VAL . . . -141.4 -58.93 0.49 Allowed 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 178.131 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -92.94 22.8 32.24 Favored Glycine 0 N--CA 1.453 -0.222 0 CA-C-N 114.962 -1.017 . . . . 0.0 112.08 179.591 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.55 -163.76 0.06 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 117.343 0.571 . . . . 0.0 110.894 179.51 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -83.66 -51.77 7.0 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.848 0.356 . . . . 0.0 110.681 179.379 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.409 ' O ' HG22 ' A' ' 51' ' ' THR . 3.5 mp0 -54.48 -34.38 61.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.229 -179.549 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.449 HG11 ' O ' ' A' ' 44' ' ' ALA . 3.2 t -77.72 -43.1 29.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.004 179.569 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.08 -44.61 95.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.224 178.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.445 HG23 ' N ' ' A' ' 52' ' ' LEU . 14.4 t -61.62 -49.81 75.1 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.084 179.749 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.445 ' N ' HG23 ' A' ' 51' ' ' THR . 9.4 tp -53.89 -58.75 6.11 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 179.536 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.46 -37.41 56.98 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.353 179.038 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -57.66 -41.5 81.64 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.923 0.392 . . . . 0.0 110.231 179.669 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.71 -40.2 84.29 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.944 179.487 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -59.95 -32.8 71.15 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -62.81 -49.56 71.7 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.535 -0.84 . . . . 0.0 112.096 179.731 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -57.93 -33.93 70.28 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.717 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.45 ' O ' HD23 ' A' ' 59' ' ' LEU . 6.3 tt -55.65 -38.71 69.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.948 0.404 . . . . 0.0 110.481 179.69 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 37.5 t80 -62.18 -46.49 88.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.089 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -42.57 -48.61 5.4 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.495 -179.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.471 ' CE1' ' OE1' ' A' ' 66' ' ' GLU . 4.4 t80 -57.77 -37.98 74.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.103 -179.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 20.5 mt -66.47 -59.3 3.79 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.832 0.349 . . . . 0.0 110.956 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.813 ' HB1' ' O ' ' A' ' 69' ' ' VAL . . . -50.36 -46.21 55.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.816 -179.565 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.87 -51.1 61.64 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.939 0.399 . . . . 0.0 111.05 -179.793 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.471 ' OE1' ' CE1' ' A' ' 62' ' ' TYR . 2.6 tp10 -62.32 -40.65 97.05 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.886 179.649 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -79.09 -26.06 43.01 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.686 -179.56 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 103.16 4.37 47.6 Favored Glycine 0 CA--C 1.519 0.323 0 C-N-CA 120.527 -0.844 . . . . 0.0 113.857 179.066 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.813 ' O ' ' HB1' ' A' ' 64' ' ' ALA . 32.5 m -104.75 171.52 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.936 0.368 . . . . 0.0 110.565 179.531 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -88.24 -179.39 46.93 Favored Glycine 0 C--N 1.331 0.3 0 C-N-CA 120.837 -0.697 . . . . 0.0 113.978 -178.588 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.95 -12.64 52.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.402 -0.399 . . . . 0.0 111.153 178.296 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -113.45 13.89 18.99 Favored 'General case' 0 CA--C 1.53 0.175 0 N-CA-C 111.509 0.189 . . . . 0.0 111.509 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -94.54 -165.93 36.23 Favored Glycine 0 C--N 1.331 0.276 0 C-N-CA 120.451 -0.881 . . . . 0.0 112.809 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.563 ' HB2' ' HB1' ' A' ' 23' ' ' ALA . 0.1 OUTLIER -142.31 154.35 44.62 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.14 0.495 . . . . 0.0 111.729 -179.128 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -113.62 137.93 50.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.064 179.205 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 56.9 p -85.59 167.2 15.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.658 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -58.85 -50.83 72.51 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.045 0.45 . . . . 0.0 110.508 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -58.12 -32.78 68.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.648 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -73.62 -42.5 61.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.087 179.125 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -53.31 -52.76 58.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.964 179.513 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.943 HG23 HD13 ' A' ' 9' ' ' LEU . 56.7 mt -53.47 -51.57 40.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.766 -179.42 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 93.4 mtt180 -55.85 -54.35 45.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.618 -179.555 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 45.1 t -70.58 -35.89 63.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 C-N-CA 120.965 -0.294 . . . . 0.0 111.277 -179.557 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 28.9 m -61.78 -47.91 83.03 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 179.249 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -46.06 -57.39 4.49 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.111 179.343 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.433 ' O ' ' N ' ' A' ' 90' ' ' GLU . 0.9 OUTLIER -59.74 -35.91 75.54 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.372 -179.849 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.1 mt -58.94 -45.21 91.01 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.884 0.374 . . . . 0.0 110.586 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 5.2 mt -74.39 -38.86 47.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.523 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 -91.27 -79.15 0.37 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 86' ' ' ASN . 1.7 tt0 -57.19 -159.51 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.948 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 68.3 -89.2 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.767 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 129.8 -179.89 16.48 Favored Glycine 0 C--N 1.331 0.298 0 C-N-CA 120.105 -1.045 . . . . 0.0 113.42 179.678 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -60.44 -65.18 0.73 Allowed 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.192 0.442 . . . . 0.0 112.192 -179.533 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -55.07 -18.28 5.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.769 -0.65 . . . . 0.0 112.641 -178.393 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 65.2 m -77.1 -46.5 23.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.975 0.417 . . . . 0.0 110.385 179.568 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -71.5 -40.12 70.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.905 179.487 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 23.8 t30 -68.69 -36.25 78.24 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.005 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 66.4 ttt180 -63.01 -60.49 3.38 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.561 -179.519 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 46.3 t -76.0 -35.84 30.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 N-CA-C 112.489 0.552 . . . . 0.0 112.489 -178.31 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 9.9 tp -88.97 -25.97 21.75 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 119.668 -0.813 . . . . 0.0 111.922 -178.169 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.429 ' N ' ' HD2' ' A' ' 102' ' ' PRO . . . -42.56 -62.59 2.15 Favored Glycine 0 CA--C 1.52 0.397 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.457 179.531 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.429 ' HD2' ' N ' ' A' ' 101' ' ' GLY . 26.9 Cg_endo -61.52 -16.57 48.67 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.902 2.402 . . . . 0.0 112.152 179.261 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 89.0 t -80.57 -51.75 15.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.164 179.708 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.538 ' O ' HG23 ' A' ' 108' ' ' VAL . 5.6 t -69.7 -34.5 61.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.134 179.013 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.41 ' HB2' ' O ' ' A' ' 101' ' ' GLY . 1.0 OUTLIER -56.7 -54.27 48.14 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.324 179.082 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -46.92 -37.84 9.8 Favored Glycine 0 C--N 1.331 0.263 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.119 179.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 5.9 mt -74.36 -39.79 49.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.841 0.353 . . . . 0.0 111.09 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.853 HG13 HD11 ' A' ' 119' ' ' ILE . 85.9 t -62.8 -34.1 63.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.626 179.764 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -60.86 -38.76 95.85 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.107 179.493 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 22.2 mtp -79.79 -25.15 41.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.747 0.308 . . . . 0.0 110.23 179.5 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 49.2 t -92.37 42.49 1.1 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.176 0.512 . . . . 0.0 111.388 -178.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -167.41 109.15 0.63 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.475 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.03 3.36 54.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.375 178.751 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -103.98 -15.5 15.6 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-O 120.566 0.222 . . . . 0.0 110.925 179.721 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . 65.34 58.49 0.85 Allowed 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 112.076 0.398 . . . . 0.0 112.076 179.247 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 52.8 p-10 -115.65 -13.9 11.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.259 179.393 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 79.6 10.1 86.18 Favored Glycine 0 C--N 1.333 0.379 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.988 179.74 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -123.33 163.11 21.4 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.01 0.434 . . . . 0.0 111.385 -179.395 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.853 HD11 HG13 ' A' ' 108' ' ' VAL . 34.5 mm -109.95 100.4 10.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.33 -179.633 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . 0.405 ' O ' ' N ' ' A' ' 123' ' ' GLU . 1.1 m120 -83.43 160.85 21.48 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 179.389 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -51.32 -36.95 45.14 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.8 0.333 . . . . 0.0 110.574 -179.511 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.79 -26.04 64.08 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 178.693 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 120' ' ' ASN . 7.4 mt-10 -83.52 -47.71 11.04 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.317 -0.401 . . . . 0.0 109.926 178.796 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . 0.551 ' O ' HD12 ' A' ' 128' ' ' LEU . 2.7 t80 -57.63 -46.9 83.54 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.96 0.41 . . . . 0.0 110.567 179.61 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -57.24 -47.03 82.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.961 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -54.23 -31.92 54.54 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.648 -179.577 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 27.2 t90 -82.94 -42.07 18.08 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 111.999 0.37 . . . . 0.0 111.999 -178.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.743 HD22 ' HA ' ' A' ' 138' ' ' ALA . 0.7 OUTLIER -60.24 -44.16 95.48 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.71 0.29 . . . . 0.0 111.329 -179.255 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . 0.44 ' HA ' ' O ' ' A' ' 133' ' ' MET . 0.6 OUTLIER -71.09 -22.26 62.12 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.771 -0.372 . . . . 0.0 110.408 179.207 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -67.93 -38.82 83.34 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.989 179.354 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 14.4 mt -86.85 -1.75 58.04 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -178.506 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 110.01 26.72 4.84 Favored Glycine 0 CA--C 1.518 0.255 0 C-N-CA 120.007 -1.092 . . . . 0.0 113.862 178.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' MET . . . . . 0.44 ' O ' ' HA ' ' A' ' 129' ' ' THR . 9.4 mmt -103.23 153.94 19.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 117.309 0.554 . . . . 0.0 110.56 179.394 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 13.6 t -82.01 156.87 24.43 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.797 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.58 -22.38 65.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.721 0.296 . . . . 0.0 111.515 -179.438 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -81.36 -27.2 34.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.946 0.403 . . . . 0.0 110.968 179.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -72.34 -39.9 67.81 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.63 -179.284 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . 0.743 ' HA ' HD22 ' A' ' 128' ' ' LEU . . . -60.37 -54.94 39.59 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.981 0.42 . . . . 0.0 110.643 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -49.38 -42.91 43.55 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.238 179.572 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -69.8 -49.71 50.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.689 -179.421 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -61.69 -36.23 80.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.607 -178.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 142' ' ' PHE . . . . . 0.558 ' O ' HG12 ' A' ' 145' ' ' VAL . 40.3 t80 -55.6 -58.73 6.59 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.09 179.714 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -58.19 -34.17 70.07 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 116.016 -0.538 . . . . 0.0 112.221 -179.633 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -65.58 -39.09 91.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.147 -0.479 . . . . 0.0 112.061 -178.731 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . 0.878 HG13 HD21 ' A' ' 153' ' ' LEU . 8.7 p -83.48 -33.96 10.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.201 -0.454 . . . . 0.0 112.173 -178.094 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.56 77.69 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.322 -179.008 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 147' ' ' THR . . . . . 0.456 ' N ' ' O ' ' A' ' 145' ' ' VAL . 1.4 m -58.85 -32.23 69.23 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.882 -0.599 . . . . 0.0 112.132 179.478 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 148' ' ' ASN . . . . . 0.417 ' ND2' ' OE1' ' A' ' 157' ' ' GLU . 49.4 p30 -94.57 2.69 55.66 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 -178.006 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 40.7 35.77 0.95 Allowed Glycine 0 C--N 1.332 0.349 0 C-N-CA 121.081 -0.581 . . . . 0.0 113.42 179.55 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 27.6 p-10 -91.65 -6.04 52.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.677 0.275 . . . . 0.0 111.405 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 85.83 7.34 81.33 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.734 -0.746 . . . . 0.0 113.35 179.147 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -135.17 135.99 41.49 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 117.287 0.543 . . . . 0.0 111.143 -179.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 0.878 HD21 HG13 ' A' ' 145' ' ' VAL . 8.1 mt -101.71 105.54 16.46 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.828 179.264 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.03 169.31 10.52 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.163 0.506 . . . . 0.0 111.761 -179.606 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 155' ' ' LEU . . . . . 0.4 ' O ' ' HB2' ' A' ' 158' ' ' LEU . 6.3 tp -51.07 -45.56 61.44 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.178 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.12 -55.83 28.23 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.255 -179.52 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 157' ' ' GLU . . . . . 0.417 ' OE1' ' ND2' ' A' ' 148' ' ' ASN . 5.8 mt-10 -65.41 -13.67 59.19 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 -178.698 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 158' ' ' LEU . . . . . 0.531 HD11 HG13 ' A' ' 119' ' ' ILE . 0.4 OUTLIER -71.33 -39.01 71.64 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.041 0.448 . . . . 0.0 110.325 179.282 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 1.3 mt . . . . . 0 C--N 1.331 -0.216 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.351 179.741 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 29.0 mt . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.974 0.416 . . . . 0.0 111.533 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.05 -42.82 99.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.867 -179.182 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -61.15 -55.51 31.52 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.718 -179.429 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -46.92 -51.61 16.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.002 -0.544 . . . . 0.0 112.402 -178.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.35 -45.02 93.13 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 111.813 0.301 . . . . 0.0 111.813 -178.699 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.87 HD12 HG23 ' A' ' 81' ' ' ILE . 11.8 mt -75.39 -27.92 59.26 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.655 0.264 . . . . 0.0 111.547 -179.183 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -61.05 -55.99 26.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.665 0.269 . . . . 0.0 110.993 -179.574 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.417 ' O ' ' HB2' ' A' ' 15' ' ' ARG . 0.1 OUTLIER -56.32 -46.7 79.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.537 -0.302 . . . . 0.0 111.093 -179.803 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -45.64 -28.47 0.99 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.918 0.39 . . . . 0.0 110.992 179.635 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 43.2 t80 -74.58 -59.1 2.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.079 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -70.06 -25.83 63.73 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.888 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.417 ' HB2' ' O ' ' A' ' 11' ' ' LYS . 0.1 OUTLIER -73.13 -16.94 61.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.539 -0.301 . . . . 0.0 111.026 179.932 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.401 ' CH2' ' CE2' ' A' ' 29' ' ' PHE . 2.9 t90 -108.3 14.14 25.12 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 111.773 0.286 . . . . 0.0 111.773 -179.76 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.87 77.64 5.33 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.976 0.417 . . . . 0.0 110.003 179.257 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -54.78 -50.59 68.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.673 -178.827 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 15.1 p-10 -97.35 -14.18 21.42 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 111.643 0.238 . . . . 0.0 111.643 -179.567 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 77.18 45.61 11.29 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.5 -0.857 . . . . 0.0 112.042 -179.587 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 38.7 p-10 -92.04 -10.22 39.95 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 111.777 0.288 . . . . 0.0 111.777 -179.456 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 79.34 20.49 69.33 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.53 -0.843 . . . . 0.0 112.187 -179.633 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -154.08 179.3 9.06 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.1 tp -115.46 117.56 30.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.897 0.38 . . . . 0.0 111.056 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -114.69 168.07 10.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.424 179.79 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 56.7 ttt180 -69.09 -29.68 67.82 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.391 -179.487 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.37 -18.28 64.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.282 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.48 -27.37 62.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.996 0.426 . . . . 0.0 110.114 179.22 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.401 ' CE2' ' CH2' ' A' ' 16' ' ' TRP . 37.1 m-85 -78.0 -40.83 37.84 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.179 -179.506 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -65.65 -36.94 85.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.366 179.442 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.57 -45.32 79.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.953 0.406 . . . . 0.0 110.42 179.419 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.449 ' OE1' ' CE2' ' A' ' 56' ' ' PHE . 2.1 tm-20 -51.07 -57.03 9.74 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.292 179.773 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.514 ' HB3' ' HG2' ' A' ' 53' ' ' LYS . . . -51.0 -45.8 61.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.053 0.454 . . . . 0.0 110.343 179.37 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.42 ' CG ' ' HE3' ' A' ' 53' ' ' LYS . 2.3 mm100 -61.85 -52.86 62.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.734 -0.667 . . . . 0.0 109.915 179.136 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 8.8 t60 -55.69 -29.9 60.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.495 179.74 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.459 ' O ' ' HB3' ' A' ' 39' ' ' ALA . 17.0 mm -78.12 -54.6 12.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.825 179.795 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -43.97 -48.26 8.62 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.708 0.29 . . . . 0.0 111.341 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.78 -36.25 71.91 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 179.204 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.459 ' HB3' ' O ' ' A' ' 36' ' ' ILE . . . -58.77 -33.76 70.65 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 178.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -90.13 2.59 55.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.702 179.089 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.415 ' O ' ' HB2' ' A' ' 42' ' ' LYS . . . 71.61 -148.77 44.06 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 121.041 -0.599 . . . . 0.0 112.738 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.415 ' HB2' ' O ' ' A' ' 41' ' ' GLY . 12.9 mttt 69.29 -99.02 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 122.717 0.407 . . . . 0.0 111.544 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -170.68 133.58 1.0 Allowed 'General case' 0 C--O 1.232 0.14 0 C-N-CA 120.726 -0.39 . . . . 0.0 111.702 -179.439 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.568 ' O ' HG11 ' A' ' 49' ' ' VAL . . . -68.49 -9.34 48.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.598 179.712 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -102.44 14.41 56.62 Favored Glycine 0 C--N 1.332 0.352 0 C-N-CA 120.526 -0.845 . . . . 0.0 113.578 -179.002 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.87 -171.42 0.14 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.906 0.384 . . . . 0.0 110.863 179.575 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -88.9 -45.0 10.05 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.007 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -63.92 -20.06 65.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.955 -0.566 . . . . 0.0 112.167 -178.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.568 HG11 ' O ' ' A' ' 44' ' ' ALA . 8.4 p -76.48 -43.19 35.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 C-N-CA 120.575 -0.45 . . . . 0.0 109.802 179.506 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.435 ' N ' HG13 ' A' ' 49' ' ' VAL . 60.0 tp60 -60.04 -42.72 95.05 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 178.505 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 94.1 m -57.75 -56.3 23.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.596 178.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 31.2 tp -50.33 -60.56 2.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.205 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.514 ' HG2' ' HB3' ' A' ' 33' ' ' ALA . 12.9 mtpt -50.93 -39.3 54.35 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.754 -0.203 . . . . 0.0 110.69 179.517 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -59.55 -42.18 91.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.725 0.298 . . . . 0.0 110.464 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.05 -37.8 78.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.978 0.418 . . . . 0.0 110.577 179.095 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.451 ' HD2' ' HB2' ' A' ' 33' ' ' ALA . 0.5 OUTLIER -64.28 -32.15 73.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.741 179.753 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -66.53 -51.6 41.05 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.444 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -54.75 -31.94 54.25 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.583 -0.818 . . . . 0.0 112.713 -179.676 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.56 HD11 ' CD2' ' A' ' 100' ' ' LEU . 0.5 OUTLIER -58.33 -38.12 76.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.663 0.268 . . . . 0.0 110.733 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.401 ' O ' ' N ' ' A' ' 63' ' ' LEU . 46.2 t80 -59.72 -47.65 84.81 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 179.526 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -42.17 -48.9 4.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.415 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.412 ' O ' ' HB2' ' A' ' 66' ' ' GLU . 87.1 t80 -58.68 -36.08 73.62 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.929 0.395 . . . . 0.0 110.474 179.525 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.458 ' HB3' HD21 ' A' ' 75' ' ' LEU . 24.2 mt -64.6 -55.98 16.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.837 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.851 ' HB1' ' O ' ' A' ' 69' ' ' VAL . . . -54.82 -45.95 74.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.86 0.362 . . . . 0.0 111.307 179.693 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 27.0 ttpt -64.77 -53.94 39.14 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.973 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.412 ' HB2' ' O ' ' A' ' 62' ' ' TYR . 6.2 tm-20 -61.92 -41.22 97.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.025 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.414 ' HB2' HD23 ' A' ' 75' ' ' LEU . . . -77.87 -27.1 49.63 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.825 0.345 . . . . 0.0 111.583 -179.617 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 103.22 0.43 47.6 Favored Glycine 0 CA--C 1.521 0.454 0 C-N-CA 120.501 -0.857 . . . . 0.0 114.049 179.08 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.851 ' O ' ' HB1' ' A' ' 64' ' ' ALA . 29.5 m -101.27 173.04 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.962 0.381 . . . . 0.0 110.421 179.63 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -86.68 177.19 48.27 Favored Glycine 0 C--N 1.331 0.297 0 C-N-CA 120.88 -0.676 . . . . 0.0 114.487 -178.072 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 69.3 m -64.52 -15.6 61.17 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.21 -0.495 . . . . 0.0 110.983 178.247 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -110.66 13.25 22.52 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.005 179.638 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -96.21 -163.5 33.34 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.694 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -143.6 156.37 44.56 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.991 0.425 . . . . 0.0 111.341 -179.681 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.458 HD21 ' HB3' ' A' ' 63' ' ' LEU . 2.7 mp -118.78 140.01 50.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.062 179.317 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 54.5 p -85.53 176.03 8.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.854 0.359 . . . . 0.0 111.374 -179.512 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -65.72 -48.88 70.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.963 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -58.99 -34.62 72.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.659 179.695 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -74.34 -43.74 55.35 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.08 0.467 . . . . 0.0 110.404 179.373 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.473 ' CE1' ' OG1' ' A' ' 84' ' ' THR . 34.0 t80 -51.58 -57.54 8.83 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.735 179.444 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.87 HG23 HD12 ' A' ' 9' ' ' LEU . 9.1 mt -53.43 -44.22 54.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.566 -179.458 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 2.6 tpp180 -59.46 -56.71 18.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.789 -179.689 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 13.1 p -71.04 -35.89 61.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 N-CA-C 111.873 0.324 . . . . 0.0 111.873 -179.234 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.473 ' OG1' ' CE1' ' A' ' 80' ' ' PHE . 95.1 m -63.37 -45.57 90.54 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.846 0.355 . . . . 0.0 110.714 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.83 -43.55 90.68 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.998 -0.547 . . . . 0.0 112.195 -179.174 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.436 ' O ' ' N ' ' A' ' 90' ' ' GLU . 1.7 m-80 -56.87 -39.5 74.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.768 -179.383 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.597 HD11 ' CE2' ' A' ' 96' ' ' PHE . 0.6 OUTLIER -60.24 -41.29 92.86 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.731 0.301 . . . . 0.0 111.409 -179.61 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.401 ' N ' ' HG ' ' A' ' 87' ' ' LEU . 4.9 mt -71.96 -46.96 57.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.915 0.388 . . . . 0.0 111.18 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -88.44 -72.6 0.53 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.48 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 86' ' ' ASN . 1.4 tp10 -63.88 -159.77 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.332 179.237 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 7.6 mm100 63.44 -88.73 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.059 179.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 142.98 170.74 13.06 Favored Glycine 0 C--N 1.334 0.457 0 C-N-CA 120.396 -0.907 . . . . 0.0 113.184 179.692 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.57 -56.1 25.57 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 121.113 0.482 . . . . 0.0 111.254 -179.826 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.4 ' O ' ' HB2' ' A' ' 98' ' ' ARG . . . -57.92 -15.34 8.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.533 -0.758 . . . . 0.0 112.442 -178.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -77.22 -44.65 29.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.86 0.362 . . . . 0.0 110.62 179.636 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.597 ' CE2' HD11 ' A' ' 87' ' ' LEU . 1.9 t80 -68.67 -43.67 75.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.896 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -67.83 -37.0 81.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.158 -179.669 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.4 ' HB2' ' O ' ' A' ' 94' ' ' ALA . 71.5 ttt180 -63.98 -64.33 0.92 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.814 -179.338 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 5.5 p -69.42 -39.41 78.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 N-CA-C 112.756 0.65 . . . . 0.0 112.756 -178.004 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.909 HD13 ' HB ' ' A' ' 103' ' ' VAL . 0.2 OUTLIER -87.69 -25.9 23.25 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 120.093 -0.643 . . . . 0.0 111.915 -177.623 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.448 ' N ' ' HD2' ' A' ' 102' ' ' PRO . . . -42.59 -60.63 2.78 Favored Glycine 0 CA--C 1.521 0.456 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.715 179.603 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.448 ' HD2' ' N ' ' A' ' 101' ' ' GLY . 30.0 Cg_endo -62.26 -15.5 44.98 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.693 2.262 . . . . 0.0 112.167 179.476 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.909 ' HB ' HD13 ' A' ' 100' ' ' LEU . 89.5 t -82.62 -50.88 15.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.786 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.769 HG23 HD12 ' A' ' 100' ' ' LEU . 94.2 t -70.12 -34.61 59.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.959 0.409 . . . . 0.0 110.456 179.214 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 5.5 tttt -54.87 -60.3 3.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.296 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -42.05 -34.39 1.43 Allowed Glycine 0 C--N 1.333 0.401 0 C-N-CA 121.017 -0.611 . . . . 0.0 112.821 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.589 HG21 ' CZ2' ' A' ' 127' ' ' TRP . 26.3 mt -73.61 -40.88 55.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.653 0.263 . . . . 0.0 111.311 -179.751 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.771 HG22 HD11 ' A' ' 119' ' ' ILE . 73.7 t -61.59 -33.95 59.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.703 179.799 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -68.26 -31.98 75.35 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.69 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -80.43 -27.92 37.87 Favored 'General case' 0 C--N 1.332 -0.184 0 O-C-N 122.833 -0.216 . . . . 0.0 111.08 -179.753 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 62.0 m -90.99 -28.63 17.88 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 113.334 0.864 . . . . 0.0 113.334 -177.219 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . 0.438 ' O ' ' HB2' ' A' ' 113' ' ' LYS . 57.5 m-20 -64.26 -73.65 0.12 Allowed 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.011 -0.676 . . . . 0.0 110.201 -179.336 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.438 ' HB2' ' O ' ' A' ' 112' ' ' ASP . 0.0 OUTLIER 83.66 -7.08 1.12 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.435 -178.527 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . 0.553 ' O ' ' HB3' ' A' ' 115' ' ' ALA . 11.0 p30 -107.19 -18.92 13.76 Favored 'General case' 0 CA--C 1.529 0.165 0 N-CA-C 110.132 -0.321 . . . . 0.0 110.132 178.803 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.553 ' HB3' ' O ' ' A' ' 114' ' ' ASN . . . 77.1 54.14 0.04 OUTLIER 'General case' 0 N--CA 1.462 0.133 0 N-CA-C 112.457 0.54 . . . . 0.0 112.457 178.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 47.6 p-10 -115.62 -16.96 11.25 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 121.003 -0.279 . . . . 0.0 111.239 179.562 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 77.29 13.46 83.57 Favored Glycine 0 CA--C 1.519 0.343 0 C-N-CA 120.864 -0.684 . . . . 0.0 113.021 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -125.2 165.76 17.69 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.03 0.443 . . . . 0.0 111.747 -179.182 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.771 HD11 HG22 ' A' ' 108' ' ' VAL . 18.2 mm -112.85 99.95 9.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.778 -179.237 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . 0.406 ' O ' ' N ' ' A' ' 123' ' ' GLU . 2.3 m-80 -83.68 158.37 21.85 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 179.332 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -47.61 -38.13 13.96 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.979 -0.288 . . . . 0.0 111.22 -178.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.33 -28.96 66.69 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 179.205 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 120' ' ' ASN . 12.0 mt-10 -80.99 -44.93 17.39 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 178.678 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . 0.608 ' CE2' HD11 ' A' ' 128' ' ' LEU . 5.6 t80 -55.58 -51.31 67.54 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.978 179.702 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -57.1 -42.26 80.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.079 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -55.61 -33.87 64.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.138 -0.483 . . . . 0.0 112.041 -179.544 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' TRP . . . . . 0.589 ' CZ2' HG21 ' A' ' 107' ' ' ILE . 10.5 t90 -85.84 -41.39 15.05 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 111.922 0.342 . . . . 0.0 111.922 -178.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.608 HD11 ' CE2' ' A' ' 124' ' ' PHE . 0.2 OUTLIER -59.5 -44.54 93.08 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.864 0.364 . . . . 0.0 110.825 -179.585 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 1.7 p -70.05 -25.48 63.57 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.031 -0.532 . . . . 0.0 109.885 178.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . 0.421 ' HB3' ' O ' ' A' ' 127' ' ' TRP . . . -64.92 -37.44 87.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.37 179.132 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 95.7 mt -86.28 -7.26 58.64 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 -178.699 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 112.78 27.12 3.9 Favored Glycine 0 CA--C 1.518 0.28 0 C-N-CA 119.954 -1.117 . . . . 0.0 113.88 178.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' MET . . . . . . . . . . . . . 2.2 mmt -102.4 153.13 20.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 117.27 0.535 . . . . 0.0 110.079 179.041 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -80.78 166.03 21.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.888 0.375 . . . . 0.0 111.134 -179.552 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.07 -19.36 64.08 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.042 -0.527 . . . . 0.0 112.082 -179.022 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -84.95 -25.54 27.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.785 0.326 . . . . 0.0 111.46 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -73.42 -42.4 62.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.683 -179.352 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -58.31 -58.81 6.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.956 0.408 . . . . 0.0 110.589 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -47.33 -43.33 22.71 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.058 179.415 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.54 -48.45 55.42 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.65 -179.553 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -61.75 -36.4 80.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.038 0.447 . . . . 0.0 111.15 -179.307 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 142' ' ' PHE . . . . . 0.537 ' O ' HG12 ' A' ' 145' ' ' VAL . 55.4 t80 -52.41 -59.83 3.96 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.205 179.188 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -58.67 -35.03 71.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.465 -0.789 . . . . 0.0 112.452 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -67.16 -38.25 85.15 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 -178.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . 1.054 HG13 HD21 ' A' ' 153' ' ' LEU . 11.9 p -83.1 -34.54 11.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.71 -178.262 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.84 78.12 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.176 -179.452 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 147' ' ' THR . . . . . 0.443 ' N ' ' O ' ' A' ' 145' ' ' VAL . 5.9 m -58.19 -28.95 65.27 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.817 179.192 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 39.8 p30 -98.41 1.67 47.09 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.548 0.573 . . . . 0.0 112.548 -178.208 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 38.32 39.01 0.68 Allowed Glycine 0 C--N 1.337 0.621 0 C-N-CA 121.237 -0.506 . . . . 0.0 113.558 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 40.4 p-10 -94.15 -5.66 46.62 Favored 'General case' 0 CA--C 1.531 0.226 0 N-CA-C 111.62 0.23 . . . . 0.0 111.62 -179.694 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 90.06 1.96 75.27 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.489 -0.862 . . . . 0.0 113.517 179.224 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 65.1 mt-10 -133.04 134.26 44.14 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 117.499 0.649 . . . . 0.0 110.804 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 1.054 HD21 HG13 ' A' ' 145' ' ' VAL . 12.3 mt -99.88 104.49 16.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.931 179.572 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -89.3 158.83 17.67 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.919 0.39 . . . . 0.0 111.142 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 155' ' ' LEU . . . . . 0.782 ' HA ' HD12 ' A' ' 158' ' ' LEU . 0.9 OUTLIER -40.95 -41.24 1.58 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.919 -179.615 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 60.6 t0 -57.01 -56.91 15.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.218 0.532 . . . . 0.0 111.387 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -64.28 -14.91 58.77 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.33 -0.85 . . . . 0.0 112.908 -178.391 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 158' ' ' LEU . . . . . 0.782 HD12 ' HA ' ' A' ' 155' ' ' LEU . 21.4 mt -70.64 -38.73 73.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.674 0.273 . . . . 0.0 110.82 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 0.498 ' N ' HD23 ' A' ' 159' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.331 -0.235 0 CA-C-O 120.958 0.409 . . . . 0.0 110.349 179.474 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 3.0 mp . . . . . 0 N--CA 1.464 0.262 0 CA-C-O 120.849 0.357 . . . . 0.0 111.781 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.58 -33.6 76.04 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -179.013 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.9 t -60.34 -55.0 38.95 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.755 0.312 . . . . 0.0 111.352 -179.433 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -51.46 -44.5 62.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.285 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.29 -48.96 77.59 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.536 -179.449 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.642 ' CD2' HG21 ' A' ' 84' ' ' THR . 51.5 mt -76.55 -32.8 58.42 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.644 0.259 . . . . 0.0 111.442 -179.191 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.62 -53.33 59.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.78 0.324 . . . . 0.0 110.532 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.7 mttp -60.69 -44.09 96.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.381 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -48.24 -29.79 4.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.171 179.654 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -73.96 -61.4 1.86 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.662 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -67.49 -11.75 58.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.182 179.561 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.59 -23.74 59.97 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.744 0.307 . . . . 0.0 110.879 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 2.4 m0 -91.94 -96.25 0.13 Allowed 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.308 -179.637 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 39.55 68.39 0.38 Allowed 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 120.924 0.392 . . . . 0.0 111.514 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.511 ' CE1' ' HB3' ' A' ' 31' ' ' LYS . 0.4 OUTLIER -53.11 -50.99 63.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.645 -179.617 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.5 p30 -96.84 -13.54 22.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.585 -179.628 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.45 45.7 13.6 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.541 -0.838 . . . . 0.0 112.879 179.751 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 16.8 p-10 -93.03 -7.83 44.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 117.234 0.517 . . . . 0.0 111.326 179.64 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 85.28 21.48 54.57 Favored Glycine 0 C--N 1.334 0.434 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.43 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.481 ' HB1' ' HB2' ' A' ' 74' ' ' SER . . . -156.46 173.84 16.31 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.592 0.234 . . . . 0.0 110.406 179.444 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.9 mp -108.31 123.27 48.54 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.671 -0.241 . . . . 0.0 110.949 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -121.01 172.07 8.2 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.353 0.597 . . . . 0.0 111.493 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -68.46 -34.59 76.21 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.793 179.632 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.0 -20.1 66.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.038 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.415 ' O ' ' CE2' ' A' ' 18' ' ' PHE . 0.5 OUTLIER -72.4 -33.21 67.01 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.443 179.802 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -75.24 -39.07 60.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.457 -179.457 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.81 -39.9 95.34 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.636 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.511 ' HB3' ' CE1' ' A' ' 18' ' ' PHE . 0.3 OUTLIER -64.93 -42.71 94.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.673 0.273 . . . . 0.0 110.418 179.629 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -48.7 -61.48 2.01 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.296 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.569 ' HB3' ' HG3' ' A' ' 53' ' ' LYS . . . -43.98 -46.53 8.31 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.088 179.553 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -62.55 -51.1 68.7 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.905 179.167 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -52.73 -31.31 37.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.281 179.775 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 65.3 mt -77.72 -55.6 9.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.654 179.252 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -45.11 -44.23 10.32 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 121.084 0.469 . . . . 0.0 110.999 179.701 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -59.82 -42.39 93.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.252 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -58.37 -24.76 60.82 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.894 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 47.5 m-85 -92.16 3.38 55.44 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.466 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 67.86 14.1 64.95 Favored Glycine 0 C--N 1.335 0.479 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.712 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 17.5 mttp -90.96 158.69 16.58 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.389 0.138 . . . . 0.0 110.793 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.529 ' O ' HG21 ' A' ' 49' ' ' VAL . 0.2 OUTLIER -71.46 130.27 40.87 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.699 0.285 . . . . 0.0 110.708 179.69 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.58 -17.0 64.04 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.697 -179.458 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -105.02 13.63 49.1 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.296 -0.954 . . . . 0.0 113.049 -179.274 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.19 -159.79 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.926 0.393 . . . . 0.0 110.795 179.282 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -91.74 -50.23 5.85 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.24 0.543 . . . . 0.0 110.913 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.412 ' HG3' ' HG2' ' A' ' 110' ' ' MET . 0.0 OUTLIER -58.76 -30.31 67.44 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.33 -0.85 . . . . 0.0 112.525 -178.946 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.529 HG21 ' O ' ' A' ' 43' ' ' ASP . 5.2 t -76.02 -43.44 38.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.219 179.776 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -61.66 -40.92 96.64 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 178.67 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 85.1 m -57.29 -57.87 10.75 Favored 'General case' 0 CA--C 1.522 -0.108 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.213 179.134 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 22.2 tp -51.19 -55.74 16.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.509 -179.507 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.569 ' HG3' ' HB3' ' A' ' 33' ' ' ALA . 8.1 mtpt -51.39 -37.77 49.95 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.741 0.305 . . . . 0.0 110.873 179.528 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 17.3 t30 -60.84 -42.81 98.5 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.873 0.368 . . . . 0.0 110.64 179.707 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.65 -37.89 73.78 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.157 179.633 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -62.36 -31.05 71.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.55 179.708 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -64.07 -52.16 46.96 Favored Glycine 0 N--CA 1.449 -0.455 0 CA-C-N 115.714 -0.675 . . . . 0.0 112.905 -179.624 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -61.37 -27.1 67.18 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.548 -0.834 . . . . 0.0 112.662 -179.686 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.484 HD12 HG21 ' A' ' 103' ' ' VAL . 4.3 tt -55.64 -38.1 69.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.807 0.336 . . . . 0.0 110.914 -179.426 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -62.2 -39.86 94.16 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.849 179.67 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -41.81 -52.94 3.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.516 -179.669 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -58.38 -35.27 71.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.138 -179.659 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 83.3 mt -66.68 -57.97 6.07 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.867 0.365 . . . . 0.0 111.19 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.532 ' HB1' ' O ' ' A' ' 69' ' ' VAL . . . -51.81 -50.72 60.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 0.0 112.137 179.629 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.97 -49.42 74.78 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.848 0.356 . . . . 0.0 111.47 -179.103 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -60.24 -42.59 95.6 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.83 -179.654 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -76.19 -27.94 57.09 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 116.123 -0.49 . . . . 0.0 112.146 -179.379 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 105.56 0.36 40.07 Favored Glycine 0 CA--C 1.522 0.52 0 C-N-CA 120.615 -0.802 . . . . 0.0 113.785 178.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.532 ' O ' ' HB1' ' A' ' 64' ' ' ALA . 35.3 m -102.07 175.56 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 179.482 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -89.17 -179.2 45.6 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.413 -0.899 . . . . 0.0 113.944 -178.546 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 12.3 m -65.38 -13.43 58.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.329 -0.436 . . . . 0.0 111.142 178.158 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -111.22 12.44 21.77 Favored 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 122.187 0.195 . . . . 0.0 111.407 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -94.56 -163.75 35.55 Favored Glycine 0 N--CA 1.446 -0.663 0 C-N-CA 120.274 -0.965 . . . . 0.0 112.194 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.481 ' HB2' ' HB1' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -144.17 156.73 44.44 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.279 0.562 . . . . 0.0 112.007 -179.273 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -116.75 132.15 56.77 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.314 179.58 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 29.5 p -83.9 -179.16 7.2 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.628 0.251 . . . . 0.0 110.872 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 60.8 tt0 -71.44 -52.28 19.35 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.701 0.286 . . . . 0.0 111.197 -179.555 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -55.62 -35.07 65.47 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 179.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -75.15 -42.63 55.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.141 178.694 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 36.7 t80 -53.92 -53.92 45.95 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.792 179.417 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 23.5 mt -53.82 -46.64 63.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.536 -179.302 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.7 -53.25 60.17 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 111.873 0.323 . . . . 0.0 111.873 -179.519 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 14.6 p -72.41 -34.6 49.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.761 0.315 . . . . 0.0 111.33 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.642 HG21 ' CD2' ' A' ' 9' ' ' LEU . 31.1 m -64.13 -48.4 76.22 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.364 179.834 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -52.8 -45.35 67.17 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.075 0.464 . . . . 0.0 111.077 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -58.44 -37.86 76.29 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.913 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.7 mt -58.92 -48.35 81.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.296 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.488 HD12 ' O ' ' A' ' 84' ' ' THR . 2.9 mp -73.32 -45.09 53.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 120.601 0.239 . . . . 0.0 111.07 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -87.87 -75.47 0.41 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.819 0.342 . . . . 0.0 110.989 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.412 ' O ' ' HB2' ' A' ' 91' ' ' GLN . 4.9 mt-10 -64.13 -161.5 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.648 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.428 ' OE1' ' N ' ' A' ' 91' ' ' GLN . 0.0 OUTLIER 66.91 135.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.809 179.836 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -69.69 157.76 53.45 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.561 -179.693 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.04 -57.78 9.22 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.709 0.29 . . . . 0.0 111.719 -179.256 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.437 ' O ' ' CG ' ' A' ' 98' ' ' ARG . . . -60.43 -13.38 13.19 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.336 0.495 . . . . 0.0 112.336 -179.523 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 37.4 m -73.62 -42.61 61.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.873 0.368 . . . . 0.0 110.82 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.685 ' CE1' HD22 ' A' ' 100' ' ' LEU . 10.4 t80 -67.93 -44.87 75.86 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.309 179.681 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -65.09 -39.91 93.84 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.67 -0.696 . . . . 0.0 112.141 -179.35 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.437 ' CG ' ' O ' ' A' ' 94' ' ' ALA . 1.5 mmt-85 -62.57 -63.4 1.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -178.241 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 21.6 t -66.92 -38.31 81.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 113.02 0.748 . . . . 0.0 113.02 -177.472 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.685 HD22 ' CE1' ' A' ' 96' ' ' PHE . 0.5 OUTLIER -88.75 -25.72 22.14 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 119.896 -0.721 . . . . 0.0 112.722 -177.536 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.469 ' N ' ' HD2' ' A' ' 102' ' ' PRO . . . -41.1 -56.71 3.19 Favored Glycine 0 CA--C 1.524 0.647 0 C-N-CA 120.896 -0.668 . . . . 0.0 112.949 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.469 ' HD2' ' N ' ' A' ' 101' ' ' GLY . 57.2 Cg_endo -69.03 -13.74 37.09 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.908 2.406 . . . . 0.0 112.741 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.484 HG21 HD12 ' A' ' 59' ' ' LEU . 46.6 t -79.75 -49.95 18.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 C-N-CA 120.436 -0.506 . . . . 0.0 110.454 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.422 ' O ' HG23 ' A' ' 108' ' ' VAL . 59.3 t -70.53 -34.46 57.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 121.457 0.646 . . . . 0.0 109.67 178.353 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.04 -59.35 4.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.016 -0.993 . . . . 0.0 110.501 179.185 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -44.92 -35.49 4.51 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.906 -0.664 . . . . 0.0 112.35 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 69.0 mt -73.69 -41.67 54.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.606 0.241 . . . . 0.0 111.458 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.906 HG13 HD11 ' A' ' 119' ' ' ILE . 46.4 t -62.17 -34.2 62.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.911 0.386 . . . . 0.0 110.945 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -62.64 -36.33 93.11 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.466 -0.873 . . . . 0.0 112.064 179.612 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' MET . . . . . 0.412 ' HG2' ' HG3' ' A' ' 48' ' ' GLU . 1.6 mtm -80.8 -27.6 36.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.871 0.367 . . . . 0.0 110.12 179.507 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 6.5 t -93.98 46.2 1.17 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.062 -178.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -167.38 107.92 0.6 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.254 -0.884 . . . . 0.0 110.371 -179.749 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 1.5 mtpt -94.06 7.77 43.94 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.685 178.08 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . 0.413 ' O ' ' HB3' ' A' ' 115' ' ' ALA . 6.8 p30 -108.66 -24.19 11.46 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.72 0.295 . . . . 0.0 110.785 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.413 ' HB3' ' O ' ' A' ' 114' ' ' ASN . . . 67.97 59.68 0.44 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.302 -0.408 . . . . 0.0 112.037 179.24 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 27.2 p-10 -114.18 -12.71 12.46 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.777 179.13 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 82.91 4.56 89.97 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.618 -0.801 . . . . 0.0 113.232 179.506 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -121.42 166.0 14.74 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-O 121.273 0.559 . . . . 0.0 111.987 -179.35 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.906 HD11 HG13 ' A' ' 108' ' ' VAL . 38.8 mm -111.77 98.99 7.76 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.972 -179.413 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . 0.424 ' O ' ' N ' ' A' ' 123' ' ' GLU . 1.4 m120 -86.01 153.78 21.9 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.738 -0.385 . . . . 0.0 110.053 179.668 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -42.99 -38.9 2.41 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 111.804 0.298 . . . . 0.0 111.804 -178.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 53.2 t0 -69.13 -37.59 78.39 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 179.379 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 120' ' ' ASN . 3.8 mt-10 -73.45 -45.36 54.73 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 178.606 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . 0.441 ' CD1' HG21 ' A' ' 119' ' ' ILE . 1.6 t80 -54.98 -52.78 62.0 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.354 -179.487 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.417 ' HA ' ' HB1' ' A' ' 138' ' ' ALA . . . -54.5 -40.37 68.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.448 -179.48 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -55.57 -33.35 63.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 112.094 -179.332 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' TRP . . . . . 0.471 ' O ' ' HB3' ' A' ' 130' ' ' ALA . 13.3 t90 -86.43 -42.07 13.92 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 111.804 0.298 . . . . 0.0 111.804 -178.858 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.438 HD12 ' O ' ' A' ' 124' ' ' PHE . 0.4 OUTLIER -57.55 -44.11 84.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.907 0.384 . . . . 0.0 110.691 -179.917 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . 0.475 HG22 ' O ' ' A' ' 133' ' ' MET . 1.0 OUTLIER -71.19 -21.62 62.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.38 178.753 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . 0.471 ' HB3' ' O ' ' A' ' 127' ' ' TRP . . . -65.14 -36.54 84.59 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.715 179.39 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 5.7 mt -86.1 3.12 44.0 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 -178.739 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 102.54 29.68 5.85 Favored Glycine 0 C--N 1.332 0.338 0 C-N-CA 120.216 -0.992 . . . . 0.0 113.743 178.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' MET . . . . . 0.475 ' O ' HG22 ' A' ' 129' ' ' THR . 15.1 mmt -103.07 155.98 18.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.956 0.378 . . . . 0.0 110.29 179.419 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 16.6 t -81.79 168.42 18.03 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.956 0.407 . . . . 0.0 111.475 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.95 -14.74 62.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.014 -0.539 . . . . 0.0 112.165 -179.55 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -89.11 -31.23 18.1 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 111.99 0.366 . . . . 0.0 111.99 -179.361 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.03 -38.66 79.3 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 -178.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . 0.417 ' HB1' ' HA ' ' A' ' 125' ' ' ALA . . . -60.23 -59.04 6.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.799 0.333 . . . . 0.0 111.025 -179.84 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -46.92 -41.73 16.47 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.946 0.403 . . . . 0.0 111.414 179.444 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -69.23 -48.21 62.57 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.004 -179.701 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . 0.537 ' O ' HG23 ' A' ' 145' ' ' VAL . . . -64.65 -37.19 86.72 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.975 -0.557 . . . . 0.0 112.04 -179.338 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -55.86 -59.91 4.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.058 0.456 . . . . 0.0 110.631 179.579 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -56.06 -35.05 66.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.961 -179.424 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -66.69 -33.46 75.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.756 -179.194 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . 0.537 HG23 ' O ' ' A' ' 141' ' ' ALA . 48.9 t -83.49 -32.46 9.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 112.314 0.487 . . . . 0.0 112.314 -178.191 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.81 77.73 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.026 0.441 . . . . 0.0 111.149 -179.451 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 147' ' ' THR . . . . . 0.469 ' N ' ' O ' ' A' ' 145' ' ' VAL . 1.3 p -56.84 -35.44 68.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.941 179.764 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 37.9 p30 -95.65 6.4 49.03 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 -178.527 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 39.4 31.44 0.21 Allowed Glycine 0 C--N 1.333 0.416 0 C-N-CA 121.199 -0.524 . . . . 0.0 113.689 179.585 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 25.8 p-10 -87.21 -4.51 59.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.882 0.341 . . . . 0.0 111.518 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 87.53 3.89 80.71 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.434 -0.889 . . . . 0.0 113.162 179.311 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -134.11 134.16 41.92 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 117.242 0.521 . . . . 0.0 110.557 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 0.42 ' HB2' ' HB ' ' A' ' 119' ' ' ILE . 36.3 mt -100.56 104.66 16.02 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.45 179.127 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 2.9 p -88.17 168.0 13.13 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 121.199 0.523 . . . . 0.0 112.305 -179.078 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 4.3 mp -48.55 -45.63 37.8 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.798 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -56.16 -58.54 7.51 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.267 -179.803 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -64.08 -17.26 63.23 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.575 -0.739 . . . . 0.0 112.21 -178.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 158' ' ' LEU . . . . . 0.596 HD11 ' CG1' ' A' ' 119' ' ' ILE . 0.6 OUTLIER -71.83 -70.12 0.35 Allowed 'General case' 0 C--N 1.334 -0.104 0 CA-C-O 120.936 0.398 . . . . 0.0 110.735 179.218 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 0.467 ' N ' HD23 ' A' ' 159' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.472 0.645 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.155 -179.47 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 32.5 mm . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.898 0.38 . . . . 0.0 111.051 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.559 ' O ' HD12 ' A' ' 9' ' ' LEU . . . -63.21 -44.68 94.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.898 -179.439 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.36 -46.53 89.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.734 0.302 . . . . 0.0 111.293 -179.791 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -56.13 -54.81 40.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.289 -0.414 . . . . 0.0 112.114 -179.007 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.58 -42.76 99.32 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.003 0.371 . . . . 0.0 112.003 -178.395 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.717 HD13 HG23 ' A' ' 81' ' ' ILE . 5.2 mt -78.8 -30.78 45.65 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.207 0.447 . . . . 0.0 112.207 -178.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -61.18 -63.59 1.24 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.762 0.315 . . . . 0.0 111.365 -179.42 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.401 ' O ' ' N ' ' A' ' 15' ' ' ARG . 3.1 mmmt -49.22 -46.21 45.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.375 -179.335 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.84 -30.87 1.84 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.869 0.366 . . . . 0.0 110.974 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 44.8 t80 -74.61 -58.53 3.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.136 -179.743 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.75 -13.92 62.53 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.003 179.589 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.401 ' N ' ' O ' ' A' ' 11' ' ' LYS . 48.9 ttt85 -73.1 -24.15 60.6 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 111.79 0.293 . . . . 0.0 111.79 -179.448 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 32.8 m0 -98.21 -92.38 0.25 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.153 -179.302 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 39.56 73.72 0.11 Allowed 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 120.945 0.402 . . . . 0.0 111.544 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.449 ' CE2' ' N ' ' A' ' 32' ' ' GLU . 0.2 OUTLIER -53.19 -50.62 64.29 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.288 -179.314 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 46.1 p30 -98.16 -11.61 22.6 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.187 0.44 . . . . 0.0 112.187 -178.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 72.83 41.72 48.46 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.382 -0.913 . . . . 0.0 111.91 -179.615 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 16.6 p30 -90.5 -7.71 52.28 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 111.874 0.324 . . . . 0.0 111.874 -179.301 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 83.73 21.19 58.36 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.368 -0.92 . . . . 0.0 112.333 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -157.2 176.43 12.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.913 0.387 . . . . 0.0 110.967 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.4 mt -114.63 117.13 30.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.55 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -113.74 170.74 8.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.365 0.602 . . . . 0.0 110.821 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.5 ttm180 -68.18 -34.77 76.91 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.527 179.632 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.61 -19.82 66.06 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.259 179.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.38 -29.31 64.79 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 179.661 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -76.93 -36.67 56.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.012 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -64.19 -45.47 88.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.508 179.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 20.6 mmmt -62.35 -41.71 98.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.832 0.349 . . . . 0.0 110.58 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.449 ' N ' ' CE2' ' A' ' 18' ' ' PHE . 2.5 tt0 -50.51 -62.81 1.37 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.273 179.833 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.525 ' HB2' ' CD2' ' A' ' 56' ' ' PHE . . . -45.54 -47.04 14.36 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.117 0.484 . . . . 0.0 110.964 179.305 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 49.4 tt0 -63.26 -53.75 47.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.159 179.521 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 15.1 t60 -53.48 -23.44 10.2 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.892 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 60.4 mt -86.37 -49.71 14.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.203 179.386 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -48.13 -42.33 29.01 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.52 178.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -60.46 -42.14 95.58 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.471 179.461 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.13 -25.79 67.24 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.54 179.308 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -90.89 0.37 57.51 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.855 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 69.67 13.32 68.52 Favored Glycine 0 CA--C 1.52 0.36 0 C-N-CA 120.461 -0.876 . . . . 0.0 112.964 179.709 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 13.4 mmtp -90.3 159.61 16.57 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.955 0.407 . . . . 0.0 111.596 -179.594 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.97 130.3 38.23 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.253 179.735 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.0 -14.42 62.95 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.523 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -105.38 14.71 47.11 Favored Glycine 0 C--N 1.332 0.335 0 C-N-CA 120.554 -0.831 . . . . 0.0 113.705 -179.014 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.73 -168.22 0.25 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.816 0.341 . . . . 0.0 111.019 179.35 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -90.27 -47.01 8.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.651 179.243 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -62.35 -25.08 67.71 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.384 -179.592 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.499 HG13 ' N ' ' A' ' 50' ' ' GLN . 9.3 p -76.33 -46.61 32.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 179.442 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.499 ' N ' HG13 ' A' ' 49' ' ' VAL . 9.9 tp-100 -60.12 -40.78 90.93 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 178.744 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 65.9 m -59.75 -56.0 27.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.239 178.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 8.7 tp -52.29 -58.84 5.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.205 -179.494 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 53.7 mtpt -51.07 -41.99 60.27 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.443 0.163 . . . . 0.0 110.676 179.455 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -56.94 -40.4 76.32 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.902 0.382 . . . . 0.0 110.051 179.407 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.02 -36.46 77.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.514 179.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.525 ' CD2' ' HB2' ' A' ' 33' ' ' ALA . 1.2 m-85 -64.61 -30.26 71.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.867 -179.647 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -65.99 -48.98 61.24 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.316 179.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -63.67 -31.03 79.4 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.519 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.802 HD13 HG21 ' A' ' 103' ' ' VAL . 2.7 tp -58.48 -39.41 79.89 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 111.524 0.194 . . . . 0.0 111.524 -178.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 20.3 t80 -65.29 -37.54 87.47 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.405 0.145 . . . . 0.0 110.767 179.427 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 50.6 t0 -41.88 -45.62 3.75 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 120.857 0.36 . . . . 0.0 111.348 -179.632 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -59.54 -37.45 78.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.087 179.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 49.9 mt -64.14 -57.93 8.12 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.034 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.652 ' HB1' ' O ' ' A' ' 69' ' ' VAL . . . -52.04 -48.86 64.38 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.306 0.484 . . . . 0.0 112.306 -179.837 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.8 ttmt -63.93 -51.19 65.61 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.925 0.393 . . . . 0.0 111.082 -179.618 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 28.5 tp10 -61.4 -42.45 98.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.235 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.84 51.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.364 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 103.29 -4.3 47.99 Favored Glycine 0 CA--C 1.522 0.469 0 C-N-CA 120.631 -0.795 . . . . 0.0 113.91 178.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.652 ' O ' ' HB1' ' A' ' 64' ' ' ALA . 33.6 m -97.21 173.33 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.946 0.373 . . . . 0.0 110.713 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -86.17 177.36 49.1 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.93 -0.653 . . . . 0.0 114.132 -178.575 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.0 -13.21 44.75 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.042 -0.579 . . . . 0.0 110.836 177.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -112.41 13.2 20.2 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 116.747 -0.206 . . . . 0.0 111.531 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -94.12 -165.72 36.74 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.548 -0.834 . . . . 0.0 112.672 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.0 m -143.59 155.68 44.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.127 0.489 . . . . 0.0 111.726 -179.265 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.423 HD12 ' N ' ' A' ' 75' ' ' LEU . 3.4 mp -119.66 136.94 54.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.696 178.664 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 5.7 p -83.16 -178.18 7.01 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.923 0.392 . . . . 0.0 111.011 -179.745 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -68.07 -48.64 65.01 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.891 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 53.2 mm-40 -58.74 -33.34 70.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.828 179.724 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -72.55 -42.91 64.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.125 0.488 . . . . 0.0 110.15 179.126 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 76.9 t80 -52.39 -58.28 7.2 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.082 179.596 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.717 HG23 HD13 ' A' ' 9' ' ' LEU . 79.2 mt -50.3 -46.65 25.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.531 -179.269 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.7 -52.91 63.48 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.405 -179.833 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 21.5 t -70.35 -35.62 63.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 120.731 0.3 . . . . 0.0 110.927 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 63.3 m -64.31 -48.1 76.89 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.961 0.41 . . . . 0.0 110.391 179.364 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -51.29 -47.52 62.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.013 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 26.2 m120 -61.56 -38.93 89.28 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.824 179.477 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 5.7 mt -58.65 -42.48 88.47 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.601 179.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 17.7 mm -74.91 -50.32 25.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.644 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -85.61 -75.71 0.36 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.018 -179.413 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.03 -163.98 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.697 0.284 . . . . 0.0 110.785 179.714 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 71.39 139.62 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.406 -179.581 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -70.39 156.71 53.42 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.983 -179.347 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -54.83 -53.54 54.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.435 0.636 . . . . 0.0 109.595 179.386 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.71 -10.24 25.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 114.921 -1.036 . . . . 0.0 112.161 179.493 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -73.62 -42.67 61.16 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.802 0.334 . . . . 0.0 110.633 -179.498 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -70.72 -41.06 72.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.066 0.46 . . . . 0.0 110.206 179.253 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 -66.17 -39.01 89.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.645 -179.495 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 10.5 mtt180 -65.14 -51.54 60.56 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 -178.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.475 HG12 HD12 ' A' ' 59' ' ' LEU . 2.9 t -81.88 -36.27 14.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 112.338 0.496 . . . . 0.0 112.338 -178.316 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.541 ' HG ' HG23 ' A' ' 104' ' ' VAL . 18.7 tp -90.41 -26.1 20.05 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 119.695 -0.802 . . . . 0.0 111.743 -178.481 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.454 ' N ' ' HD2' ' A' ' 102' ' ' PRO . . . -41.93 -54.55 4.34 Favored Glycine 0 CA--C 1.52 0.378 0 C-N-CA 120.985 -0.626 . . . . 0.0 113.118 179.791 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.454 ' HD2' ' N ' ' A' ' 101' ' ' GLY . 57.3 Cg_endo -71.32 -13.31 30.64 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.593 2.195 . . . . 0.0 112.351 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.802 HG21 HD13 ' A' ' 59' ' ' LEU . 31.5 t -81.2 -51.52 15.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.859 0.361 . . . . 0.0 110.711 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.541 HG23 ' HG ' ' A' ' 100' ' ' LEU . 36.2 t -68.91 -33.88 61.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.08 0.467 . . . . 0.0 110.348 179.203 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.99 -51.96 67.48 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.624 179.34 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -47.66 -36.27 12.52 Favored Glycine 0 C--N 1.332 0.329 0 C-N-CA 120.918 -0.658 . . . . 0.0 112.514 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 52.4 mt -72.21 -40.88 66.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.8 0.333 . . . . 0.0 110.724 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.784 HG21 HD22 ' A' ' 155' ' ' LEU . 85.2 t -63.74 -34.54 68.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.077 179.683 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -59.87 -40.54 96.92 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.253 -0.975 . . . . 0.0 111.728 179.692 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -78.71 -24.82 44.73 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 179.463 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 49.2 t -92.31 44.83 1.18 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.132 0.491 . . . . 0.0 111.21 -179.158 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -165.91 108.77 0.78 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.481 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 12.7 mtpp -93.93 1.39 56.33 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.104 178.31 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . 0.451 ' O ' ' HB3' ' A' ' 115' ' ' ALA . 45.4 p-10 -104.16 -19.05 14.27 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-O 120.792 0.329 . . . . 0.0 110.601 179.43 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.451 ' HB3' ' O ' ' A' ' 114' ' ' ASN . . . 69.11 51.12 0.54 Allowed 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 116.207 -0.451 . . . . 0.0 112.03 179.216 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 35.7 p-10 -107.48 -14.07 14.93 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.666 -0.243 . . . . 0.0 111.201 179.422 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 80.23 9.53 86.48 Favored Glycine 0 CA--C 1.52 0.402 0 C-N-CA 120.84 -0.695 . . . . 0.0 113.229 179.479 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 2.8 mm100 -123.48 162.9 21.95 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 117.16 0.48 . . . . 0.0 111.492 -179.421 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.467 HD11 HG13 ' A' ' 108' ' ' VAL . 37.7 mm -107.98 99.06 7.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.214 -179.759 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . 0.442 ' O ' ' N ' ' A' ' 123' ' ' GLU . 7.5 m-20 -86.07 153.22 22.27 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 179.188 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -45.25 -38.27 5.37 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 111.773 0.286 . . . . 0.0 111.773 -178.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -70.49 -30.14 66.85 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 179.413 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 120' ' ' ASN . 8.6 mt-10 -79.95 -46.77 16.11 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 178.571 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . 0.836 ' CE2' HD11 ' A' ' 128' ' ' LEU . 5.8 t80 -56.31 -43.07 78.59 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.93 0.395 . . . . 0.0 110.809 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -58.21 -45.79 87.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.24 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -53.62 -34.24 57.81 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.956 -179.568 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 18.7 t90 -85.16 -37.75 19.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.858 0.361 . . . . 0.0 111.36 -179.035 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.836 HD11 ' CE2' ' A' ' 124' ' ' PHE . 0.8 OUTLIER -62.6 -47.94 81.6 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.916 -179.777 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 76.5 p -70.21 -21.55 63.01 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.18 -0.463 . . . . 0.0 109.916 178.589 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -65.74 -37.85 87.51 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.241 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 16.2 mt -87.04 -0.66 56.99 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 111.914 0.338 . . . . 0.0 111.914 -179.115 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 106.65 30.27 4.38 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.18 -1.01 . . . . 0.0 113.621 178.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' MET . . . . . . . . . . . . . 16.8 mmt -101.98 153.08 20.2 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 179.065 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -81.53 153.8 26.59 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.9 0.381 . . . . 0.0 111.047 -179.409 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 7.6 mttt -56.52 -20.1 18.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.543 -179.643 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -83.91 -21.69 31.81 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.945 0.402 . . . . 0.0 111.16 179.475 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -75.12 -39.43 60.57 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.239 -179.565 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . 0.798 ' HA ' HD13 ' A' ' 128' ' ' LEU . . . -61.86 -60.72 3.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.983 0.421 . . . . 0.0 110.25 179.577 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -46.66 -45.32 19.17 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.719 179.262 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -69.81 -47.78 61.56 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.932 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . 0.485 ' O ' HG23 ' A' ' 145' ' ' VAL . . . -61.78 -41.63 97.97 Favored 'General case' 0 CA--C 1.519 -0.241 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.639 -179.25 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 142' ' ' PHE . . . . . 0.624 ' CD1' HD12 ' A' ' 153' ' ' LEU . 86.1 t80 -51.01 -57.55 8.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.846 179.71 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 29.3 m120 -58.6 -35.94 73.23 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.626 0.602 . . . . 0.0 112.626 -179.668 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -64.45 -41.49 96.52 Favored 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -178.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 141' ' ' ALA . 12.5 t -81.9 -29.21 9.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.214 -0.448 . . . . 0.0 112.014 -177.638 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -61.37 78.12 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.31 0 CA-C-O 121.203 0.525 . . . . 0.0 111.156 -179.625 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 147' ' ' THR . . . . . 0.456 ' N ' ' O ' ' A' ' 145' ' ' VAL . 1.7 t -54.84 -41.81 71.18 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.464 -0.789 . . . . 0.0 112.722 -179.755 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 42.4 p30 -94.3 6.69 47.92 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.489 0.552 . . . . 0.0 112.489 -178.004 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 37.65 39.8 0.62 Allowed Glycine 0 C--N 1.337 0.615 0 C-N-CA 121.19 -0.529 . . . . 0.0 113.398 179.698 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 40.5 p-10 -93.0 -7.07 46.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.605 0.24 . . . . 0.0 111.487 -179.545 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 95.26 -3.59 66.57 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.619 -0.8 . . . . 0.0 113.207 179.58 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -132.71 135.33 45.72 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-N 117.524 0.662 . . . . 0.0 111.46 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 0.624 HD12 ' CD1' ' A' ' 142' ' ' PHE . 13.3 mt -102.94 100.85 10.83 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.555 179.211 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 19.5 t -88.82 165.79 14.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.065 0.459 . . . . 0.0 111.765 -179.315 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 155' ' ' LEU . . . . . 0.784 HD22 HG21 ' A' ' 108' ' ' VAL . 0.4 OUTLIER -45.43 -41.74 9.63 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.393 -179.936 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.23 -60.71 3.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.264 0.554 . . . . 0.0 110.994 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -62.94 -16.52 59.59 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.337 -0.847 . . . . 0.0 112.102 -179.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 1.7 mt -70.49 -67.21 0.51 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.096 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 2.1 pp . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.139 -179.514 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 4.1 mp . . . . . 0 N--CA 1.456 -0.129 0 CA-C-O 120.991 0.425 . . . . 0.0 111.292 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.95 -34.6 77.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.783 -179.522 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.04 -51.41 69.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.929 0.395 . . . . 0.0 110.879 -179.743 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -53.33 -47.74 69.06 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.258 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.59 -47.95 83.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.567 -179.093 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.771 HD13 HG23 ' A' ' 81' ' ' ILE . 1.2 mt -75.87 -28.99 58.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.546 -178.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.48 -58.85 6.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.817 0.341 . . . . 0.0 110.697 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.418 ' O ' ' N ' ' A' ' 15' ' ' ARG . 7.4 mtpt -55.81 -43.3 76.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.973 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -46.05 -33.85 3.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.192 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 17.5 t80 -73.29 -60.04 2.43 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.019 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.74 -12.78 61.9 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.721 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.418 ' N ' ' O ' ' A' ' 11' ' ' LYS . 4.9 mmm-85 -72.31 -22.31 61.21 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.618 0.247 . . . . 0.0 111.285 -179.245 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 8.0 m0 -101.33 -91.72 0.32 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.592 -0.276 . . . . 0.0 111.042 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 41.15 73.92 0.12 Allowed 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.069 0.461 . . . . 0.0 111.331 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -54.39 -51.68 64.07 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.541 -179.141 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -96.66 -13.46 22.79 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -179.023 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 75.9 44.35 19.69 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.426 -0.892 . . . . 0.0 112.135 -179.666 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.57 ' ND2' ' HB3' ' A' ' 23' ' ' ALA . 6.1 p-10 -93.21 -12.3 30.57 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.631 0.234 . . . . 0.0 111.631 -179.663 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 83.55 21.62 57.81 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.527 -0.844 . . . . 0.0 112.146 -179.59 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.57 ' HB3' ' ND2' ' A' ' 21' ' ' ASN . . . -153.77 175.96 12.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.706 0.288 . . . . 0.0 110.338 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -115.43 121.47 42.84 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.831 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -120.64 171.85 8.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.555 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -66.37 -32.34 73.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.384 -179.724 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.69 -20.84 65.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.242 179.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.27 -35.95 71.54 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 179.506 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.423 ' CE2' HD22 ' A' ' 59' ' ' LEU . 47.2 m-85 -77.17 -38.31 51.98 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.88 179.827 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.405 ' HB3' ' HE2' ' A' ' 53' ' ' LYS . 33.3 mt-10 -65.48 -42.55 92.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.147 179.504 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.8 tptt -66.04 -42.54 89.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.936 0.398 . . . . 0.0 110.134 179.542 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -50.82 -59.43 4.12 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.286 179.624 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -46.28 -45.74 17.46 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.172 0.51 . . . . 0.0 110.338 179.444 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -62.21 -52.71 62.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.967 179.124 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 9.0 t60 -56.07 -33.3 64.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.497 179.534 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 13.4 mm -71.8 -55.19 14.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.241 179.219 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.662 ' HB2' HG13 ' A' ' 49' ' ' VAL . . . -43.0 -42.09 3.65 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.416 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.6 -37.27 85.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.677 179.5 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -58.66 -34.74 71.56 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 179.3 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -90.23 3.39 53.67 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.745 179.158 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 70.62 -153.5 51.6 Favored Glycine 0 C--N 1.336 0.53 0 C-N-CA 120.981 -0.628 . . . . 0.0 112.629 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 6.2 mtmt 73.4 -157.44 0.08 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.664 0.268 . . . . 0.0 111.415 179.619 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.568 ' HB2' ' HB2' ' A' ' 46' ' ' ALA . 0.7 OUTLIER -69.42 -157.45 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.265 0 CA-C-O 120.83 0.348 . . . . 0.0 111.862 -178.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -140.33 -58.85 0.54 Allowed 'General case' 0 C--O 1.231 0.124 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 178.295 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -90.3 28.52 7.38 Favored Glycine 0 N--CA 1.452 -0.246 0 CA-C-N 114.766 -1.106 . . . . 0.0 111.9 179.183 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.568 ' HB2' ' HB2' ' A' ' 43' ' ' ASP . . . -71.45 -168.33 0.32 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.826 0.346 . . . . 0.0 111.277 179.508 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -83.12 -51.42 7.53 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.053 179.415 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -55.96 -33.34 64.69 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.652 -179.248 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.662 HG13 ' HB2' ' A' ' 37' ' ' ALA . 1.5 t -77.05 -42.79 32.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 179.764 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -61.04 -40.94 95.54 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 178.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 97.2 m -57.99 -56.57 20.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.21 179.55 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.607 HD11 ' CE2' ' A' ' 56' ' ' PHE . 37.3 tp -50.4 -57.05 8.87 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.846 -0.341 . . . . 0.0 110.212 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.405 ' HE2' ' HB3' ' A' ' 30' ' ' GLU . 5.7 mtpt -50.1 -36.92 31.5 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.018 0.437 . . . . 0.0 110.173 179.011 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -61.04 -45.81 93.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.564 179.363 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.63 -55.77 10.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.857 179.634 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.607 ' CE2' HD11 ' A' ' 52' ' ' LEU . 0.7 OUTLIER -47.44 -29.97 3.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.822 179.781 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -68.05 -52.31 28.81 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 121.009 -0.615 . . . . 0.0 113.127 -179.453 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -54.96 -30.71 54.48 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.831 -179.354 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.423 HD22 ' CE2' ' A' ' 29' ' ' PHE . 7.9 tt -58.12 -33.39 69.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.759 0.279 . . . . 0.0 111.3 -179.44 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.475 ' HA ' HD12 ' A' ' 63' ' ' LEU . 28.1 t80 -61.89 -44.35 96.97 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.873 0.368 . . . . 0.0 110.37 179.592 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -42.35 -49.81 5.11 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.154 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.425 ' CD1' HG21 ' A' ' 99' ' ' VAL . 6.5 t80 -58.79 -41.22 86.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.122 179.812 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.475 HD12 ' HA ' ' A' ' 60' ' ' PHE . 29.3 mt -64.34 -53.74 43.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.902 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.524 ' HB1' ' O ' ' A' ' 69' ' ' VAL . . . -55.71 -50.58 69.95 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 111.855 0.317 . . . . 0.0 111.855 179.444 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.52 -50.22 72.25 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.91 0.386 . . . . 0.0 111.013 -179.51 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -61.47 -39.88 92.49 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.762 179.643 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -78.27 -26.15 47.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.625 -179.613 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 104.05 0.85 45.02 Favored Glycine 0 CA--C 1.52 0.365 0 C-N-CA 120.69 -0.766 . . . . 0.0 113.968 178.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.524 ' O ' ' HB1' ' A' ' 64' ' ' ALA . 31.3 m -102.3 174.22 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 117.158 0.479 . . . . 0.0 110.388 179.552 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -87.7 -179.84 47.63 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.873 -0.68 . . . . 0.0 114.049 -178.686 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.6 m -64.35 -13.04 48.17 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.338 -0.431 . . . . 0.0 111.061 178.231 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 80.8 m-20 -114.03 13.76 18.24 Favored 'General case' 0 C--N 1.333 -0.141 0 N-CA-C 111.703 0.26 . . . . 0.0 111.703 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -94.21 -165.62 36.59 Favored Glycine 0 C--N 1.331 0.264 0 C-N-CA 120.456 -0.878 . . . . 0.0 112.691 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -143.11 155.41 44.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.102 0.477 . . . . 0.0 111.588 -179.515 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.455 HD11 ' HB3' ' A' ' 63' ' ' LEU . 0.2 OUTLIER -117.53 139.56 50.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.07 179.116 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 69.9 p -83.98 -177.4 6.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.755 0.312 . . . . 0.0 111.159 -179.668 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -71.72 -49.57 38.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.625 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -59.44 -32.35 70.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.562 179.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -72.68 -43.2 63.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.141 0.496 . . . . 0.0 110.098 179.169 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.705 ' O ' HG23 ' A' ' 84' ' ' THR . 23.6 t80 -51.48 -56.7 11.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.811 179.463 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.771 HG23 HD13 ' A' ' 9' ' ' LEU . 52.2 mt -54.14 -50.3 55.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.922 -179.464 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.2 ttm180 -56.29 -51.71 67.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.44 -179.387 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 38.5 t -71.99 -39.58 66.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 111.773 0.286 . . . . 0.0 111.773 -179.434 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.705 HG23 ' O ' ' A' ' 80' ' ' PHE . 40.0 p -60.69 -44.35 96.65 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.05 0.452 . . . . 0.0 110.178 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -50.02 -54.44 20.14 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.299 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.414 ' O ' ' N ' ' A' ' 90' ' ' GLU . 11.1 m-20 -57.71 -36.88 72.6 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.294 -179.747 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.6 mt -57.28 -43.03 82.76 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.519 -179.708 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 3.8 mt -72.8 -53.25 19.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.831 0.348 . . . . 0.0 111.139 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 -88.2 -68.74 0.74 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.176 -179.529 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 86' ' ' ASN . 0.8 OUTLIER -57.08 -164.8 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.878 0.37 . . . . 0.0 111.11 -179.91 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 61.0 -83.96 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.037 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . 0.41 ' N ' ' OG ' ' A' ' 95' ' ' SER . . . 135.16 175.71 13.99 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.993 179.775 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.88 -59.95 4.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.099 0.476 . . . . 0.0 111.243 -179.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -57.62 -18.09 18.15 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.708 -0.678 . . . . 0.0 112.139 -179.055 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . 0.41 ' OG ' ' N ' ' A' ' 92' ' ' GLY . 0.0 OUTLIER -78.41 -45.31 22.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.074 0.464 . . . . 0.0 110.674 179.928 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.79 ' CE2' HD22 ' A' ' 100' ' ' LEU . 21.2 t80 -70.46 -40.6 73.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.542 179.716 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -68.34 -35.06 77.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.65 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 5.5 mtm180 -62.75 -56.65 15.65 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -179.199 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.425 HG21 ' CD1' ' A' ' 62' ' ' TYR . 45.4 t -78.81 -36.23 18.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 112.948 0.721 . . . . 0.0 112.948 -177.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.79 HD22 ' CE2' ' A' ' 96' ' ' PHE . 1.6 tp -89.52 -26.06 21.08 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 119.848 -0.741 . . . . 0.0 112.233 -177.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -44.73 -59.17 4.43 Favored Glycine 0 CA--C 1.521 0.462 0 C-N-CA 120.642 -0.79 . . . . 0.0 112.682 179.74 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -63.46 -19.04 67.13 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.85 2.367 . . . . 0.0 112.067 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 73.1 t -79.62 -48.18 21.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.184 179.698 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.593 ' O ' HG23 ' A' ' 108' ' ' VAL . 2.8 t -69.88 -33.93 57.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.948 0.404 . . . . 0.0 110.205 179.27 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.9 -57.17 12.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.476 179.362 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -44.53 -38.48 5.37 Favored Glycine 0 C--N 1.333 0.378 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.116 179.627 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 22.7 mm -74.28 -38.74 48.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.724 0.297 . . . . 0.0 111.237 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.755 HG13 ' CD1' ' A' ' 119' ' ' ILE . 75.8 t -61.81 -35.44 67.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.096 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -71.73 -26.06 73.69 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.473 -0.87 . . . . 0.0 112.514 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 7.9 mtp -80.59 -30.72 36.87 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.363 0.125 . . . . 0.0 110.92 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 47.5 m -86.88 -37.42 17.7 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.772 0.656 . . . . 0.0 112.772 -177.451 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . 0.437 ' O ' ' HB2' ' A' ' 113' ' ' LYS . 3.6 m-20 -63.45 -71.7 0.16 Allowed 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.286 -0.566 . . . . 0.0 110.052 -179.406 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.437 ' HB2' ' O ' ' A' ' 112' ' ' ASP . 0.3 OUTLIER 81.38 2.21 1.56 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.116 -178.438 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . 0.523 ' O ' ' HB3' ' A' ' 115' ' ' ALA . 14.2 p30 -107.94 -21.17 12.93 Favored 'General case' 0 C--O 1.231 0.111 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 178.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.523 ' HB3' ' O ' ' A' ' 114' ' ' ASN . . . 75.44 45.77 0.13 Allowed 'General case' 0 C--O 1.231 0.124 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.975 179.389 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 16.5 p30 -106.39 -16.37 14.57 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.012 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 81.32 8.07 87.6 Favored Glycine 0 CA--C 1.52 0.353 0 C-N-CA 120.699 -0.762 . . . . 0.0 113.409 179.431 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -123.2 163.85 19.84 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 117.261 0.531 . . . . 0.0 111.813 -179.483 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.755 ' CD1' HG13 ' A' ' 108' ' ' VAL . 42.1 mm -111.7 99.73 9.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.411 -179.041 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . 0.422 ' O ' ' N ' ' A' ' 123' ' ' GLU . 1.1 m-80 -85.69 157.8 20.22 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 110.143 -0.317 . . . . 0.0 110.143 179.439 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.491 ' HA ' ' CD2' ' A' ' 142' ' ' PHE . . . -47.74 -38.72 16.03 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 111.64 0.237 . . . . 0.0 111.64 -178.689 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -70.26 -28.22 65.06 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 179.073 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 120' ' ' ASN . 57.1 mt-10 -82.92 -47.52 11.7 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.818 178.777 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . 0.441 ' CE2' HD11 ' A' ' 128' ' ' LEU . 2.8 t80 -55.81 -51.58 66.96 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.839 0.352 . . . . 0.0 110.856 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.512 ' O ' HG23 ' A' ' 129' ' ' THR . . . -53.75 -42.48 68.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.747 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -53.84 -33.84 57.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.195 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' TRP . . . . . 0.587 ' O ' ' HB3' ' A' ' 130' ' ' ALA . 23.3 t90 -82.7 -49.52 9.69 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 111.696 0.258 . . . . 0.0 111.696 -179.087 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.441 HD11 ' CE2' ' A' ' 124' ' ' PHE . 0.2 OUTLIER -54.12 -45.9 72.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.883 0.373 . . . . 0.0 110.488 -179.529 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . 0.512 HG23 ' O ' ' A' ' 125' ' ' ALA . 25.2 p -70.85 -21.02 62.48 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.031 178.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . 0.587 ' HB3' ' O ' ' A' ' 127' ' ' TRP . . . -65.3 -37.49 87.31 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.046 179.491 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 3.2 mt -86.97 -2.08 58.35 Favored 'General case' 0 CA--C 1.529 0.16 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 -178.724 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 109.9 29.63 3.75 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.259 -0.972 . . . . 0.0 113.251 179.317 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' MET . . . . . 0.408 ' HG2' ' O ' ' A' ' 128' ' ' LEU . 38.5 mmm -101.93 153.06 20.21 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 179.219 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 56.6 m -83.23 159.79 21.9 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.718 0.295 . . . . 0.0 110.751 179.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 2.2 ttpm? -62.17 -16.77 55.2 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.809 -179.442 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -82.77 -27.51 30.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.048 179.661 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -73.97 -41.91 61.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.344 -179.773 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . 0.496 ' HB1' ' HA ' ' A' ' 125' ' ' ALA . . . -59.26 -57.85 11.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.859 0.361 . . . . 0.0 110.836 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -49.55 -44.04 46.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.096 179.708 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -70.81 -48.28 54.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.733 -179.451 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . 0.813 ' O ' HG23 ' A' ' 145' ' ' VAL . . . -62.3 -34.28 76.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.064 0.459 . . . . 0.0 111.367 -179.207 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 142' ' ' PHE . . . . . 0.733 ' CD2' HD11 ' A' ' 153' ' ' LEU . 31.9 t80 -56.95 -59.05 5.63 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.867 179.555 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 12.1 t30 -56.45 -36.27 68.85 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 115.76 -0.654 . . . . 0.0 112.504 -179.055 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -68.49 -27.42 66.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.93 0.395 . . . . 0.0 111.097 -179.395 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . 0.813 HG23 ' O ' ' A' ' 141' ' ' ALA . 44.5 t -84.66 -36.58 11.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.033 -0.53 . . . . 0.0 112.428 -178.699 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.51 78.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.125 0.488 . . . . 0.0 111.667 -179.084 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 147' ' ' THR . . . . . 0.431 ' N ' ' O ' ' A' ' 145' ' ' VAL . 24.0 m -56.34 -35.8 68.04 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 115.6 -0.727 . . . . 0.0 112.497 179.723 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 54.6 p30 -96.45 7.59 46.13 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -178.319 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 42.27 35.27 1.77 Allowed Glycine 0 C--N 1.332 0.358 0 C-N-CA 120.968 -0.634 . . . . 0.0 113.273 179.596 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 31.1 p-10 -91.78 -6.57 51.58 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-O 120.535 0.207 . . . . 0.0 111.414 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 88.2 5.59 76.11 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.497 -0.858 . . . . 0.0 113.374 179.17 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -133.05 134.73 44.75 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 117.269 0.534 . . . . 0.0 110.891 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 0.733 HD11 ' CD2' ' A' ' 142' ' ' PHE . 47.6 mt -97.37 99.54 10.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.113 179.394 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.1 163.36 17.03 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.082 0.468 . . . . 0.0 111.723 -178.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -47.98 -44.3 30.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.496 -179.678 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 33.5 t0 -56.38 -59.63 4.69 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.895 0.378 . . . . 0.0 111.039 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 77.4 mt-10 -65.02 -15.42 62.3 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.975 -0.557 . . . . 0.0 112.343 -179.028 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 158' ' ' LEU . . . . . 0.755 HD11 HG13 ' A' ' 119' ' ' ILE . 5.0 mt -70.63 -56.03 7.42 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.078 0.465 . . . . 0.0 110.557 179.526 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 0.514 ' N ' HD23 ' A' ' 159' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.958 -179.707 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 23.0 mt . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.791 0.329 . . . . 0.0 111.712 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.636 ' O ' HD12 ' A' ' 9' ' ' LEU . . . -60.63 -35.34 75.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.541 -179.219 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 m -60.46 -49.37 77.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.082 0.467 . . . . 0.0 110.867 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.04 -50.79 68.2 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.798 -179.46 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -61.7 -50.09 73.83 Favored 'General case' 0 N--CA 1.463 0.216 0 N-CA-C 111.806 0.299 . . . . 0.0 111.806 -179.038 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.887 HD13 HG23 ' A' ' 81' ' ' ILE . 2.8 mt -73.14 -29.17 62.69 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.34 -179.013 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.96 -47.74 84.54 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.925 -179.48 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 35.3 mttt -65.3 -46.15 81.53 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.02 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -47.42 -28.2 2.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.925 179.735 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.485 ' CD1' ' HA ' ' A' ' 77' ' ' GLU . 80.5 t80 -74.88 -62.86 1.4 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.239 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -70.06 -23.76 63.13 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 120.689 0.281 . . . . 0.0 111.19 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 45.5 ttt85 -72.23 -13.93 61.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.55 -179.464 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.422 ' HA ' ' CE3' ' A' ' 16' ' ' TRP . 2.2 m95 -113.34 20.49 16.1 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 111.992 0.368 . . . . 0.0 111.992 -179.564 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.8 81.86 6.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.181 0.515 . . . . 0.0 110.557 179.774 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.479 ' CZ ' ' HB3' ' A' ' 31' ' ' LYS . 0.2 OUTLIER -54.51 -51.89 63.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.033 -179.547 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -97.94 -14.05 20.84 Favored 'General case' 0 CA--C 1.53 0.199 0 N-CA-C 111.752 0.278 . . . . 0.0 111.752 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 74.99 46.32 17.06 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.563 -0.827 . . . . 0.0 112.967 179.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.4 p-10 -96.23 -8.03 34.05 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 117.035 0.418 . . . . 0.0 111.521 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 83.12 18.81 64.07 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.343 -0.932 . . . . 0.0 111.908 -179.362 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.743 ' HB1' ' HB2' ' A' ' 74' ' ' SER . . . -152.7 173.84 14.75 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.854 0.359 . . . . 0.0 110.748 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.3 mt -115.82 120.66 40.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.849 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -119.64 172.4 7.7 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.981 0.42 . . . . 0.0 111.096 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.68 -36.79 78.98 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.211 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.56 -21.92 65.94 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.037 179.463 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.432 ' OD1' ' HB2' ' A' ' 18' ' ' PHE . 13.1 m-20 -72.77 -33.16 66.13 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.121 179.448 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -75.36 -39.97 58.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.816 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 67.6 mt-10 -63.58 -37.72 88.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.191 179.541 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.479 ' HB3' ' CZ ' ' A' ' 18' ' ' PHE . 2.6 mttt -65.31 -44.59 87.39 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.798 0.332 . . . . 0.0 110.897 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.42 ' HG2' HD11 ' A' ' 36' ' ' ILE . 9.8 tt0 -46.72 -63.47 1.01 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.621 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.546 ' HA ' HD12 ' A' ' 36' ' ' ILE . . . -46.71 -45.45 19.53 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.891 0.376 . . . . 0.0 110.993 179.498 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -63.37 -57.54 10.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.863 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 24.2 t60 -52.7 -29.68 28.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.861 0.362 . . . . 0.0 110.396 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.546 HD12 ' HA ' ' A' ' 33' ' ' ALA . 19.8 mt -75.56 -50.99 22.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.34 179.717 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -43.21 -48.31 6.52 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.469 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.5 -35.99 75.19 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 179.077 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.454 ' HB3' ' O ' ' A' ' 36' ' ' ILE . . . -61.89 -30.37 70.83 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 178.7 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -93.43 -0.11 56.6 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.632 179.232 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.4 ' O ' ' HB3' ' A' ' 42' ' ' LYS . . . 71.99 -151.64 47.62 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 121.21 -0.519 . . . . 0.0 113.212 179.821 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.4 ' HB3' ' O ' ' A' ' 41' ' ' GLY . 7.7 tptt 68.22 -99.2 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 122.607 0.363 . . . . 0.0 110.876 -179.795 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -171.56 134.02 0.82 Allowed 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 121.031 0.443 . . . . 0.0 111.497 179.76 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.89 -8.86 32.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.923 -0.58 . . . . 0.0 112.25 -179.678 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -104.99 15.26 48.16 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.163 -1.018 . . . . 0.0 113.535 -179.107 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.443 ' HB3' HG23 ' A' ' 49' ' ' VAL . . . -72.29 166.3 22.73 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.861 0.362 . . . . 0.0 111.113 179.193 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.18 -47.98 75.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.18 0.514 . . . . 0.0 110.617 179.385 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 90.6 mt-10 -56.31 -31.42 63.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.598 -0.728 . . . . 0.0 112.753 -178.66 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.443 HG23 ' HB3' ' A' ' 46' ' ' ALA . 4.7 t -76.66 -38.88 31.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 C-N-CA 120.604 -0.439 . . . . 0.0 110.984 -179.46 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -59.72 -40.71 88.93 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 179.064 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 82.8 m -55.7 -59.26 5.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.93 179.107 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 17.4 tp -48.94 -58.54 4.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.884 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 27.2 mtpt -50.39 -42.37 53.48 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.483 0.182 . . . . 0.0 111.414 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -58.7 -41.53 86.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.835 0.35 . . . . 0.0 110.236 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.02 -49.05 63.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.876 179.288 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -52.41 -31.06 32.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.658 179.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -65.83 -51.16 48.58 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.361 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -59.85 -30.74 70.18 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.51 -0.853 . . . . 0.0 111.85 179.62 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.429 ' O ' HD12 ' A' ' 59' ' ' LEU . 12.6 tp -55.64 -32.98 63.64 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.93 0.395 . . . . 0.0 110.452 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -63.39 -39.48 94.63 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.223 179.143 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -43.6 -52.82 6.08 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.695 179.724 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.464 ' HB2' HG21 ' A' ' 99' ' ' VAL . 5.4 t80 -56.06 -39.88 72.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.258 -179.703 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 10.8 mt -65.96 -56.53 11.2 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.248 -179.381 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -56.32 -45.9 80.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.576 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.32 -55.98 15.23 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.923 0.392 . . . . 0.0 111.331 -179.714 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -61.14 -40.18 92.85 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.503 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -77.52 -25.29 50.15 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.992 0.425 . . . . 0.0 111.097 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 75.26 35.78 47.33 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.987 -0.625 . . . . 0.0 113.564 178.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 48.1 t -106.98 -80.29 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.516 0.198 . . . . 0.0 111.066 -179.716 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 166.51 157.96 10.74 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.578 -0.82 . . . . 0.0 112.548 -179.571 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.1 m -60.86 -23.48 65.17 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 122.434 0.294 . . . . 0.0 111.436 179.372 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -113.06 14.24 19.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.357 179.762 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -94.53 -165.21 36.05 Favored Glycine 0 C--N 1.332 0.331 0 C-N-CA 120.4 -0.905 . . . . 0.0 112.395 179.652 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.743 ' HB2' ' HB1' ' A' ' 23' ' ' ALA . 20.5 p -143.3 155.95 44.6 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.024 0.44 . . . . 0.0 111.934 -179.329 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.8 mp -116.62 136.14 53.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.238 179.111 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 16.6 p -85.17 -177.57 6.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.74 0.305 . . . . 0.0 110.793 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.485 ' HA ' ' CD1' ' A' ' 13' ' ' PHE . 2.4 tt0 -71.36 -47.95 53.19 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.758 -179.609 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.0 -33.07 70.29 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.476 179.691 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -73.46 -42.48 61.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.949 0.404 . . . . 0.0 110.273 179.13 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.406 ' CD1' ' OG1' ' A' ' 84' ' ' THR . 48.5 t80 -53.69 -54.77 33.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.568 179.127 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.887 HG23 HD13 ' A' ' 9' ' ' LEU . 9.9 mt -53.86 -51.46 44.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.622 -0.717 . . . . 0.0 112.437 -179.095 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.16 -50.09 75.38 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 111.774 0.287 . . . . 0.0 111.774 -179.233 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 74.7 t -73.13 -37.82 53.64 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.214 0 CA-C-O 120.707 0.289 . . . . 0.0 111.569 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.665 ' O ' HD12 ' A' ' 88' ' ' ILE . 51.8 m -61.15 -46.37 90.82 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.905 0.383 . . . . 0.0 110.37 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -50.24 -49.01 54.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.342 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -59.19 -36.85 76.08 Favored 'General case' 0 C--O 1.231 0.109 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.16 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.2 mt -60.44 -48.98 79.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.089 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.665 HD12 ' O ' ' A' ' 84' ' ' THR . 2.6 mp -70.8 -44.49 76.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.183 -179.556 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -88.5 -84.73 0.2 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.908 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -57.23 -162.18 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.619 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 72.01 145.45 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.838 0.351 . . . . 0.0 110.146 -179.652 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -82.35 159.6 39.12 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.641 -0.79 . . . . 0.0 113.075 -179.378 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.05 -52.95 61.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.017 0.436 . . . . 0.0 110.328 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.28 -11.47 32.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.771 -0.65 . . . . 0.0 112.507 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.11 -45.72 39.26 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.121 0.486 . . . . 0.0 110.333 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -69.03 -42.32 76.51 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.544 179.508 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -67.07 -37.48 84.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.663 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 7.3 mtp180 -63.91 -51.39 64.69 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.839 -179.31 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.464 HG21 ' HB2' ' A' ' 62' ' ' TYR . 3.7 p -79.6 -40.98 21.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 -177.116 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.492 HD23 ' HB2' ' A' ' 159' ' ' LEU . 13.7 tp -87.68 -25.08 23.67 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.786 -0.643 . . . . 0.0 112.125 -177.482 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.4 ' N ' ' HD2' ' A' ' 102' ' ' PRO . . . -44.89 -62.73 2.84 Favored Glycine 0 CA--C 1.521 0.426 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.998 179.559 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.4 ' HD2' ' N ' ' A' ' 101' ' ' GLY . 18.6 Cg_endo -60.67 -17.66 50.7 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.655 2.237 . . . . 0.0 112.316 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 20.0 t -79.17 -52.08 15.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.672 -179.061 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.449 ' O ' HG23 ' A' ' 108' ' ' VAL . 59.1 t -66.27 -30.9 51.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.244 0.545 . . . . 0.0 110.745 179.253 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.47 ' HG2' ' CD2' ' A' ' 155' ' ' LEU . 0.0 OUTLIER -55.81 -55.24 34.8 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.668 179.65 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -46.32 -38.89 9.3 Favored Glycine 0 C--N 1.331 0.262 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.492 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.606 HD13 ' CZ2' ' A' ' 127' ' ' TRP . 20.2 mt -71.87 -38.98 66.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 121.037 0.446 . . . . 0.0 110.878 -179.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.83 ' HA ' HD11 ' A' ' 119' ' ' ILE . 85.3 t -61.69 -37.68 78.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.905 179.756 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -69.41 -27.93 73.04 Favored Glycine 0 CA--C 1.52 0.375 0 C-N-CA 120.435 -0.888 . . . . 0.0 112.777 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -80.74 -31.77 35.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.546 0.173 . . . . 0.0 111.052 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 63.6 m -90.74 -21.49 21.55 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 113.058 0.762 . . . . 0.0 113.058 -177.617 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . 0.488 ' O ' ' HB2' ' A' ' 113' ' ' LYS . 24.6 m-20 -68.24 -74.03 0.13 Allowed 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 119.943 -0.703 . . . . 0.0 110.686 -178.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.488 ' HB2' ' O ' ' A' ' 112' ' ' ASP . 3.5 mttm 83.53 -4.18 1.18 Allowed 'General case' 0 C--O 1.232 0.135 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.799 -177.625 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . 0.49 ' O ' ' HB3' ' A' ' 115' ' ' ALA . 0.2 OUTLIER -108.88 -15.64 14.33 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 178.069 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.49 ' HB3' ' O ' ' A' ' 114' ' ' ASN . . . 71.56 49.23 0.3 Allowed 'General case' 0 C--O 1.231 0.085 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.755 179.41 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 14.1 p-10 -110.11 -15.54 14.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.364 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 78.39 11.48 85.27 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.906 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -123.0 164.19 19.01 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-O 121.092 0.472 . . . . 0.0 111.596 -179.243 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.83 HD11 ' HA ' ' A' ' 108' ' ' VAL . 40.3 mm -111.25 99.54 8.89 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.315 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.582 -178.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -85.05 158.01 20.57 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 122.326 -0.233 . . . . 0.0 110.424 179.672 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.456 ' HA ' ' CE2' ' A' ' 142' ' ' PHE . . . -48.63 -39.19 23.21 Favored 'General case' 0 C--N 1.334 -0.092 0 CA-C-N 116.66 -0.245 . . . . 0.0 111.515 -178.68 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.3 -28.72 64.32 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 179.055 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -79.4 -48.03 14.7 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 178.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . 0.469 ' CE2' HD11 ' A' ' 128' ' ' LEU . 2.1 t80 -57.16 -53.4 58.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.925 179.628 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -50.2 -45.0 53.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.049 -179.684 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -54.77 -32.08 59.55 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.82 -179.573 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' TRP . . . . . 0.606 ' CZ2' HD13 ' A' ' 107' ' ' ILE . 13.6 t90 -83.39 -42.26 17.22 Favored 'General case' 0 N--CA 1.463 0.207 0 N-CA-C 111.763 0.282 . . . . 0.0 111.763 -178.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.469 HD11 ' CE2' ' A' ' 124' ' ' PHE . 0.3 OUTLIER -59.34 -45.02 92.54 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.96 0.41 . . . . 0.0 110.696 -179.889 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . 0.494 HG23 ' O ' ' A' ' 133' ' ' MET . 0.3 OUTLIER -71.93 -21.36 61.63 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.146 179.134 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . 0.465 ' HB3' ' O ' ' A' ' 127' ' ' TRP . . . -65.32 -37.98 88.76 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.936 179.472 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -89.32 -0.16 57.26 Favored 'General case' 0 C--N 1.332 -0.156 0 N-CA-C 112.639 0.607 . . . . 0.0 112.639 -178.499 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 109.0 29.56 4.01 Favored Glycine 0 CA--C 1.519 0.291 0 C-N-CA 119.954 -1.117 . . . . 0.0 113.976 179.013 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' MET . . . . . 0.494 ' O ' HG23 ' A' ' 129' ' ' THR . 28.0 mmt -103.67 153.11 21.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 117.139 0.469 . . . . 0.0 110.153 178.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 6.8 p -81.02 163.69 23.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.585 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.82 -21.92 65.19 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.855 -0.338 . . . . 0.0 111.096 -179.545 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -79.81 -26.41 40.52 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.003 179.277 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.39 -38.78 68.38 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.693 -179.34 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -62.38 -59.71 4.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.0 0.429 . . . . 0.0 110.984 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -44.72 -43.64 8.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.338 179.728 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -69.84 -48.32 59.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.403 -179.429 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . 0.704 ' O ' HG23 ' A' ' 145' ' ' VAL . . . -63.04 -40.0 96.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.73 -179.238 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 142' ' ' PHE . . . . . 0.456 ' CE2' ' HA ' ' A' ' 121' ' ' ALA . 24.2 t80 -52.32 -59.62 4.19 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.229 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -56.27 -34.57 66.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.877 -179.619 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 2.1 mm100 -66.09 -35.52 80.73 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.895 -179.288 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . 0.704 HG23 ' O ' ' A' ' 141' ' ' ALA . 12.4 t -83.55 -33.45 9.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 112.671 0.619 . . . . 0.0 112.671 -177.692 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.41 78.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.094 0.473 . . . . 0.0 110.914 -179.406 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 147' ' ' THR . . . . . 0.475 ' N ' ' O ' ' A' ' 145' ' ' VAL . 0.2 OUTLIER -56.38 -32.86 65.17 Favored 'General case' 0 CA--C 1.521 -0.172 0 CA-C-N 115.721 -0.672 . . . . 0.0 112.405 -179.82 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 14.8 p30 -98.66 8.57 44.77 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 111.904 0.335 . . . . 0.0 111.904 -178.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 41.45 37.89 1.9 Allowed Glycine 0 C--N 1.335 0.487 0 C-N-CA 121.107 -0.568 . . . . 0.0 113.123 179.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 33.5 p-10 -94.65 -5.89 44.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.583 0.23 . . . . 0.0 111.552 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 85.51 9.08 79.6 Favored Glycine 0 C--N 1.335 0.518 0 C-N-CA 120.674 -0.774 . . . . 0.0 113.778 178.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -134.71 135.68 42.16 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 117.373 0.587 . . . . 0.0 111.153 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 0.7 HD21 ' HB ' ' A' ' 145' ' ' VAL . 31.4 mt -94.88 103.42 15.29 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.06 179.072 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 37.7 p -90.04 160.09 16.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.726 0.298 . . . . 0.0 111.125 -179.592 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 155' ' ' LEU . . . . . 0.47 ' CD2' ' HG2' ' A' ' 105' ' ' LYS . 0.4 OUTLIER -46.6 -44.02 17.84 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-O 121.048 0.451 . . . . 0.0 110.557 -179.922 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.79 -52.29 65.64 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.507 179.651 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -65.77 -26.33 67.66 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.228 -0.896 . . . . 0.0 112.501 -178.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 158' ' ' LEU . . . . . 0.78 HD11 HG13 ' A' ' 119' ' ' ILE . 43.2 mt -73.17 -69.99 0.39 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.187 179.626 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 0.492 ' HB2' HD23 ' A' ' 100' ' ' LEU . 3.9 pp . . . . . 0 N--CA 1.462 0.175 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.843 -178.75 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 38.3 mt . . . . . 0 C--O 1.231 0.113 0 CA-C-O 121.157 0.503 . . . . 0.0 110.61 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.23 -47.93 82.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.831 -0.622 . . . . 0.0 112.117 -179.678 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.55 -52.65 64.27 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.916 0.389 . . . . 0.0 111.365 -179.377 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -48.69 -54.64 14.01 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.801 -0.636 . . . . 0.0 112.38 -179.12 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 4.0 mmt-85 -61.39 -45.49 94.14 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.227 0.454 . . . . 0.0 112.227 -178.216 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 18.5 mt -76.5 -28.8 56.57 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 111.97 0.359 . . . . 0.0 111.97 -179.227 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.95 -66.22 0.55 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.444 -179.181 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 8.6 mmtm -47.19 -45.3 22.96 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.835 0.35 . . . . 0.0 111.008 -179.505 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 71.9 mmt-85 -49.5 -29.43 6.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.621 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -73.3 -57.14 4.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.669 0.271 . . . . 0.0 111.474 -179.39 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -70.26 -21.36 62.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.218 -179.571 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 19.6 ttt180 -75.05 -15.28 60.64 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.727 0.298 . . . . 0.0 111.26 179.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.406 ' HA ' ' CE3' ' A' ' 16' ' ' TRP . 5.9 m95 -102.36 14.19 32.6 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.775 -179.515 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -80.68 75.14 7.59 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.043 0.449 . . . . 0.0 111.161 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -53.76 -49.13 68.89 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.469 -179.408 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 27.8 p-10 -97.31 -13.3 22.01 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 111.769 0.285 . . . . 0.0 111.769 -179.355 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.16 43.54 20.85 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.377 -0.916 . . . . 0.0 111.592 -179.162 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 20.1 p-10 -93.19 -11.56 32.42 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 111.618 0.229 . . . . 0.0 111.618 -179.359 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 82.32 21.15 61.02 Favored Glycine 0 C--N 1.331 0.262 0 C-N-CA 120.568 -0.825 . . . . 0.0 112.653 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -155.4 176.58 12.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.692 0.282 . . . . 0.0 110.481 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.9 mt -115.85 123.59 48.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.973 0.416 . . . . 0.0 111.042 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -120.45 172.03 8.12 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.43 179.618 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 9.6 ttt-85 -71.05 -31.36 67.77 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.731 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.52 -20.47 65.65 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.573 -0.739 . . . . 0.0 111.512 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.39 -32.88 72.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.859 0.362 . . . . 0.0 110.543 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.417 ' HB3' ' HB3' ' A' ' 56' ' ' PHE . 99.6 m-85 -76.84 -37.43 55.65 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.422 -179.533 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -64.41 -41.07 96.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.68 -179.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.6 mttm -67.09 -43.7 81.87 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.03 0.443 . . . . 0.0 110.382 179.714 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.436 ' O ' HG12 ' A' ' 36' ' ' ILE . 22.8 tt0 -49.94 -63.11 1.21 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.386 179.662 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.434 ' HB3' ' HG3' ' A' ' 53' ' ' LYS . . . -46.05 -47.53 16.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.393 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -62.3 -51.77 66.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.304 -0.407 . . . . 0.0 109.956 179.615 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -56.28 -24.41 42.79 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.206 179.112 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.436 HG12 ' O ' ' A' ' 32' ' ' GLU . 7.0 mm -79.69 -51.7 16.01 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.091 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.808 179.457 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -45.69 -47.47 15.15 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.37 -179.679 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -60.06 -34.62 73.67 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.927 -0.309 . . . . 0.0 110.319 179.164 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.425 ' HB3' ' O ' ' A' ' 36' ' ' ILE . . . -60.23 -33.67 72.6 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 178.557 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.414 ' O ' ' HD3' ' A' ' 42' ' ' LYS . 1.1 m-85 -92.78 1.18 57.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.901 179.129 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 72.58 -147.64 40.69 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.938 -0.649 . . . . 0.0 112.434 -179.498 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.414 ' HD3' ' O ' ' A' ' 40' ' ' PHE . 0.0 OUTLIER 68.07 -103.19 0.06 Allowed 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 179.44 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -168.99 131.79 1.3 Allowed 'General case' 0 N--CA 1.457 -0.099 0 C-N-CA 120.48 -0.488 . . . . 0.0 112.146 -178.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.618 ' O ' HG11 ' A' ' 49' ' ' VAL . . . -68.21 -11.54 59.45 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.557 179.644 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -99.32 17.39 57.92 Favored Glycine 0 C--N 1.333 0.397 0 C-N-CA 120.575 -0.821 . . . . 0.0 112.937 -179.466 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.65 -166.05 0.13 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.026 0.441 . . . . 0.0 111.296 179.549 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -94.6 -45.3 7.45 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.142 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -63.89 -21.81 66.63 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.486 -179.62 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.618 HG11 ' O ' ' A' ' 44' ' ' ALA . 8.7 p -76.23 -48.1 28.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 179.502 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.492 ' N ' HG13 ' A' ' 49' ' ' VAL . 12.7 tt0 -61.0 -41.07 95.82 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 178.551 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 25.4 m -59.55 -55.06 39.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.448 179.412 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.423 HD11 ' CE2' ' A' ' 56' ' ' PHE . 37.1 tp -52.28 -58.24 7.25 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.836 -0.345 . . . . 0.0 110.27 -179.743 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.434 ' HG3' ' HB3' ' A' ' 33' ' ' ALA . 7.5 mtpt -51.35 -39.34 56.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.46 -0.337 . . . . 0.0 110.813 179.531 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -59.04 -41.08 86.99 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 179.595 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.97 -46.23 68.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.452 179.064 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.423 ' CE2' HD11 ' A' ' 52' ' ' LEU . 2.6 m-85 -53.69 -33.28 54.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.823 179.564 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -63.0 -50.17 65.83 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.634 -0.793 . . . . 0.0 112.454 -179.692 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.422 ' O ' ' HB2' ' A' ' 61' ' ' ASP . . . -59.09 -29.92 66.18 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.539 -0.838 . . . . 0.0 112.688 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.58 -35.49 68.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 122.497 -0.414 . . . . 0.0 110.756 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.883 ' HA ' HD12 ' A' ' 63' ' ' LEU . 33.2 t80 -63.97 -42.94 97.11 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.729 179.514 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.422 ' HB2' ' O ' ' A' ' 58' ' ' GLY . 16.4 m-20 -42.25 -55.21 3.4 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.741 -179.766 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 18.3 t80 -55.64 -36.09 66.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.812 -179.659 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.883 HD12 ' HA ' ' A' ' 60' ' ' PHE . 18.0 mt -66.44 -55.79 14.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.807 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.676 ' HB1' ' O ' ' A' ' 69' ' ' VAL . . . -55.37 -50.36 69.9 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.839 179.472 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 9.8 ttpt -62.11 -51.51 67.62 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.911 0.386 . . . . 0.0 111.098 -179.412 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 23.5 tp10 -61.7 -41.11 97.16 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.825 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -76.12 -27.08 56.94 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.34 -179.507 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 100.59 11.23 41.75 Favored Glycine 0 CA--C 1.519 0.281 0 C-N-CA 120.888 -0.672 . . . . 0.0 113.498 179.161 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.676 ' O ' ' HB1' ' A' ' 64' ' ' ALA . 15.9 m -110.72 172.31 2.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.553 0.176 . . . . 0.0 110.554 179.451 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -84.59 176.18 51.04 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.886 -0.673 . . . . 0.0 113.982 -178.688 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.3 m -63.85 -15.13 58.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.396 -0.402 . . . . 0.0 111.005 178.348 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -109.57 15.15 23.11 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.34 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -95.35 -165.01 34.89 Favored Glycine 0 CA--C 1.52 0.378 0 C-N-CA 120.43 -0.891 . . . . 0.0 113.07 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.5 m -143.81 155.93 44.31 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.897 0.379 . . . . 0.0 111.598 -179.25 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.3 mp -119.34 141.66 48.83 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.64 179.376 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 33.2 p -85.98 -172.11 3.92 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 120.9 0.381 . . . . 0.0 111.609 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -77.89 -49.61 13.88 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.991 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -57.07 -32.19 66.0 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.379 179.603 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -72.06 -42.8 65.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.929 0.395 . . . . 0.0 110.114 179.223 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.404 ' CD1' ' OG1' ' A' ' 84' ' ' THR . 32.8 t80 -52.1 -56.47 14.22 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.736 179.252 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 10.9 mt -53.6 -50.49 49.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.763 -179.641 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 2.1 tpt180 -58.27 -55.22 37.84 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 111.645 0.239 . . . . 0.0 111.645 -179.598 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 21.3 t -70.35 -41.58 78.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -178.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.404 ' OG1' ' CD1' ' A' ' 80' ' ' PHE . 29.0 m -61.29 -42.91 99.45 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.321 -179.754 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -53.87 -47.5 70.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.055 0.455 . . . . 0.0 111.268 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 35.1 m-20 -58.72 -40.03 82.54 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.892 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.81 -39.88 82.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.61 179.736 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 28.7 mm -75.56 -50.82 22.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.364 179.761 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 99.4 m-85 -88.01 -71.8 0.56 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.974 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.23 -161.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.59 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 23.0 mm100 63.05 158.57 0.07 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.805 0.336 . . . . 0.0 110.882 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -89.36 157.42 26.79 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.702 -0.761 . . . . 0.0 113.185 -179.599 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -54.07 -54.24 42.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.983 0.42 . . . . 0.0 110.639 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.25 -10.57 24.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.842 -0.617 . . . . 0.0 112.365 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.38 -41.27 61.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.798 0.332 . . . . 0.0 110.796 -179.698 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.492 ' HE1' HD13 ' A' ' 100' ' ' LEU . 0.1 OUTLIER -68.1 -43.44 78.47 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.391 179.627 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 27.3 t30 -69.48 -34.4 74.29 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.864 179.657 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 5.5 mtt180 -63.17 -58.0 8.68 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.629 -179.485 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 39.2 t -80.68 -35.48 14.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 112.767 0.655 . . . . 0.0 112.767 -178.228 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.492 HD13 ' HE1' ' A' ' 96' ' ' PHE . 0.5 OUTLIER -88.34 -26.39 22.25 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 119.613 -0.835 . . . . 0.0 111.806 -178.087 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -41.0 -57.02 3.05 Favored Glycine 0 CA--C 1.522 0.471 0 C-N-CA 121.152 -0.547 . . . . 0.0 113.195 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_exo -66.35 -11.1 30.04 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.716 2.277 . . . . 0.0 112.265 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.476 ' CG2' ' HA ' ' A' ' 100' ' ' LEU . 20.8 t -79.87 -53.62 12.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.424 -179.405 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.817 ' O ' HG23 ' A' ' 108' ' ' VAL . 98.5 t -68.77 -30.34 46.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.9 0.381 . . . . 0.0 111.105 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -55.25 -53.64 53.47 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.391 179.529 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -48.85 -41.61 28.27 Favored Glycine 0 CA--C 1.519 0.331 0 C-N-CA 120.85 -0.69 . . . . 0.0 112.541 179.53 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.597 HD13 ' CZ2' ' A' ' 127' ' ' TRP . 64.0 mt -71.66 -39.85 69.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.757 0.313 . . . . 0.0 111.046 -179.805 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.817 HG23 ' O ' ' A' ' 104' ' ' VAL . 36.6 t -63.14 -37.21 78.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.734 179.476 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -66.67 -31.91 79.86 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.37 179.719 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 75.6 mtp -79.78 -29.71 40.45 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.589 0.233 . . . . 0.0 110.649 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -86.56 -37.6 18.0 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.974 0.731 . . . . 0.0 112.974 -177.179 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . 0.407 ' O ' ' HB2' ' A' ' 113' ' ' LYS . 65.6 m-20 -64.14 -72.16 0.15 Allowed 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.1 -0.64 . . . . 0.0 110.131 -179.348 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.407 ' HB2' ' O ' ' A' ' 112' ' ' ASP . 0.1 OUTLIER 81.85 -4.14 1.54 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.201 -178.638 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . 0.585 ' O ' ' HB3' ' A' ' 115' ' ' ALA . 1.9 p30 -106.34 -23.64 12.48 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 178.552 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.585 ' HB3' ' O ' ' A' ' 114' ' ' ASN . . . 82.2 55.08 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.128 0 N-CA-C 112.785 0.661 . . . . 0.0 112.785 178.819 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 37.7 p-10 -113.98 -18.2 11.79 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 121.151 -0.219 . . . . 0.0 110.862 179.279 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 79.33 11.91 84.44 Favored Glycine 0 CA--C 1.52 0.344 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.77 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 5.4 mm-40 -125.73 160.99 28.33 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.866 0.365 . . . . 0.0 111.643 -179.498 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.617 ' CD1' HG13 ' A' ' 108' ' ' VAL . 37.0 mm -109.44 103.24 15.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.875 -179.35 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -84.34 161.86 20.25 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 179.065 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -50.62 -37.52 40.74 Favored 'General case' 0 N--CA 1.464 0.241 0 C-N-CA 120.912 -0.315 . . . . 0.0 111.63 -178.507 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.88 -28.78 65.93 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 178.649 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -79.88 -48.98 12.6 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.159 178.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -55.27 -52.16 64.31 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.233 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.496 ' HA ' ' HB1' ' A' ' 138' ' ' ALA . . . -54.78 -41.3 70.35 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.107 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -55.54 -34.17 64.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.751 -179.67 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' TRP . . . . . 0.597 ' CZ2' HD13 ' A' ' 107' ' ' ILE . 14.3 t90 -84.2 -46.58 11.73 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 -178.212 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.57 HD12 ' HA ' ' A' ' 138' ' ' ALA . 22.5 mt -58.49 -40.42 82.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.946 0.403 . . . . 0.0 110.554 -179.508 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . 0.447 HG23 ' O ' ' A' ' 125' ' ' ALA . 68.3 p -72.65 -28.49 62.76 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.36 179.388 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.57 -34.34 74.02 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.999 -179.698 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 51.5 mt -85.94 7.17 25.33 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 111.85 0.315 . . . . 0.0 111.85 -179.453 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 99.19 28.01 7.89 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.378 -0.915 . . . . 0.0 113.959 178.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' MET . . . . . 0.429 ' CG ' ' O ' ' A' ' 128' ' ' LEU . 17.3 mmt -98.57 156.81 16.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 117.292 0.546 . . . . 0.0 110.152 179.026 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 29.4 t -81.2 163.28 23.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.892 0.377 . . . . 0.0 111.203 -179.491 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.07 -27.94 69.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.908 -179.231 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -79.86 -22.99 42.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.523 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . 0.422 ' O ' ' HG2' ' A' ' 140' ' ' GLU . 0.0 OUTLIER -72.1 -41.73 66.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.754 -179.103 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . 0.57 ' HA ' HD12 ' A' ' 128' ' ' LEU . . . -64.42 -51.84 61.17 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.529 -179.448 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -50.09 -44.46 51.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.727 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . 0.422 ' HG2' ' O ' ' A' ' 137' ' ' GLU . 11.8 pt-20 -71.67 -41.96 68.08 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.872 0.368 . . . . 0.0 111.141 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . 0.489 ' O ' HG23 ' A' ' 145' ' ' VAL . . . -64.94 -39.79 94.03 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.704 -179.531 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -51.93 -59.33 4.45 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.27 179.193 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 68.3 m-20 -56.46 -35.39 67.86 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.912 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -63.86 -36.93 85.53 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 -179.179 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . 0.489 HG23 ' O ' ' A' ' 141' ' ' ALA . 15.6 t -83.91 -32.8 8.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 112.751 0.649 . . . . 0.0 112.751 -178.302 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.09 77.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.152 0.501 . . . . 0.0 111.634 -178.611 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 147' ' ' THR . . . . . 0.468 ' N ' ' O ' ' A' ' 145' ' ' VAL . 1.3 m -58.03 -33.71 69.28 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.556 -0.747 . . . . 0.0 112.495 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 53.6 p30 -97.54 5.95 48.81 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 -178.692 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 41.1 34.31 0.86 Allowed Glycine 0 C--N 1.335 0.478 0 C-N-CA 121.026 -0.607 . . . . 0.0 113.312 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 6.4 p-10 -90.1 -6.95 54.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.605 0.241 . . . . 0.0 111.571 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 88.82 4.07 76.09 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.53 -0.843 . . . . 0.0 113.35 179.449 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -135.95 137.28 41.14 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-N 117.601 0.7 . . . . 0.0 111.211 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 0.448 ' HA ' HD23 ' A' ' 153' ' ' LEU . 12.1 mt -101.24 102.46 13.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.96 179.573 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -89.27 166.81 13.54 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-O 121.015 0.436 . . . . 0.0 111.761 -179.721 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 5.0 tt -47.31 -45.63 24.47 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.733 -179.645 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -57.86 -52.15 66.67 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.395 0.617 . . . . 0.0 110.687 179.51 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -64.4 -21.52 66.67 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.95 -1.023 . . . . 0.0 112.893 -178.286 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 158' ' ' LEU . . . . . 0.463 HD11 HG13 ' A' ' 119' ' ' ILE . 0.4 OUTLIER -71.91 -30.26 65.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.976 0.417 . . . . 0.0 110.312 179.261 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 0.62 ' N ' HD23 ' A' ' 159' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--N 1.331 -0.223 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.063 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 37.1 mm . . . . . 0 N--CA 1.456 -0.135 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.69 -36.95 77.51 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.854 -179.309 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.8 m -61.72 -49.33 76.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.855 0.359 . . . . 0.0 110.882 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.19 -51.31 66.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.609 -179.371 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.31 -41.4 98.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.385 -178.756 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.922 HD13 HG23 ' A' ' 81' ' ' ILE . 18.2 mt -76.84 -34.44 57.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.585 0.231 . . . . 0.0 111.515 -179.18 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.1 tmtt? -61.43 -56.74 16.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.52 179.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.448 ' O ' ' N ' ' A' ' 15' ' ' ARG . 6.1 mmtp -56.91 -46.75 81.76 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.564 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -47.91 -36.8 12.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.683 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -73.72 -55.38 6.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.922 0.391 . . . . 0.0 110.817 -179.729 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -68.89 -18.74 64.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.214 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -69.55 -18.08 63.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.79 -0.187 . . . . 0.0 111.162 -179.315 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 6.0 m0 -102.38 -94.63 0.3 Allowed 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 121.196 -0.202 . . . . 0.0 111.09 179.725 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 41.68 73.0 0.14 Allowed 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 121.102 0.477 . . . . 0.0 110.951 -179.445 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -53.49 -48.11 69.23 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.603 -178.55 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -97.76 -13.79 21.19 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -178.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 78.75 42.38 13.39 Favored Glycine 0 CA--C 1.52 0.369 0 C-N-CA 120.468 -0.872 . . . . 0.0 113.388 179.522 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 44.0 p-10 -93.89 -13.73 26.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 117.096 0.448 . . . . 0.0 111.703 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 87.86 21.31 47.19 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.42 -0.895 . . . . 0.0 112.218 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -155.44 169.96 23.03 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.721 0.296 . . . . 0.0 110.798 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -111.11 121.58 45.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.76 179.553 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -120.66 174.36 6.62 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.108 0.48 . . . . 0.0 110.454 179.66 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.41 ' NH2' ' OG ' ' A' ' 71' ' ' SER . 6.8 ttm180 -67.82 -37.97 82.62 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.198 -179.722 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.0 -20.21 62.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.172 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -68.68 -31.76 71.09 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.191 179.681 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -77.08 -37.96 53.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.993 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -63.78 -41.5 97.95 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 20.8 mmtt -67.13 -45.45 77.07 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.757 178.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.433 ' O ' HG12 ' A' ' 36' ' ' ILE . 2.1 tt0 -52.11 -52.88 48.67 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.236 179.68 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -51.28 -51.54 53.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.137 0.494 . . . . 0.0 110.609 179.503 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 8.3 tp60 -60.65 -49.86 75.82 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.657 -0.702 . . . . 0.0 110.851 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -51.52 -23.97 4.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.768 -179.549 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.434 ' CD1' HD21 ' A' ' 131' ' ' LEU . 8.6 mm -85.01 -52.79 11.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.432 179.688 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -44.65 -43.92 8.64 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 120.84 0.352 . . . . 0.0 111.605 -179.299 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.77 -40.02 90.97 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.179 179.683 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -58.96 -29.81 67.44 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.092 -179.738 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -87.67 3.2 48.75 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.78 179.535 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 46.58 76.3 0.14 Allowed Glycine 0 C--N 1.339 0.716 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.468 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.01 -151.69 0.4 Allowed 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 110.321 -0.251 . . . . 0.0 110.321 -179.514 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -66.43 -172.98 0.18 Allowed 'General case' 0 CA--C 1.528 0.12 0 CA-C-O 120.785 0.326 . . . . 0.0 111.402 -178.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.854 ' O ' HG11 ' A' ' 49' ' ' VAL . . . -138.67 -60.56 0.59 Allowed 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 178.346 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -95.17 24.87 26.84 Favored Glycine 0 CA--C 1.521 0.422 0 CA-C-N 115.168 -0.924 . . . . 0.0 112.411 179.639 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.52 -167.25 0.24 Allowed 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 117.147 0.474 . . . . 0.0 111.82 179.552 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -85.23 -52.56 5.82 Favored 'General case' 0 C--O 1.23 0.076 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.887 179.483 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.494 ' HB3' ' HG2' ' A' ' 110' ' ' MET . 32.6 mm-40 -52.89 -36.27 59.04 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.143 -178.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.854 HG11 ' O ' ' A' ' 44' ' ' ALA . 7.6 p -77.36 -40.69 29.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.279 -0.418 . . . . 0.0 109.901 179.399 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.8 tt0 -59.79 -42.49 93.51 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 178.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 3.2 m -57.9 -56.03 27.27 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.41 178.707 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 13.7 tp -50.85 -60.82 2.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.957 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.1 -37.83 35.73 Favored 'General case' 0 N--CA 1.462 0.159 0 C-N-CA 121.058 -0.257 . . . . 0.0 110.569 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -59.83 -41.98 92.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.784 0.326 . . . . 0.0 110.268 179.232 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.51 -45.64 78.9 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.759 179.497 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -57.74 -31.55 66.57 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.977 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -63.61 -50.63 60.36 Favored Glycine 0 C--N 1.331 0.299 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.559 179.544 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -61.79 -29.41 72.14 Favored Glycine 0 C--N 1.333 0.363 0 C-N-CA 120.564 -0.827 . . . . 0.0 111.993 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.555 HD13 HG21 ' A' ' 103' ' ' VAL . 41.0 tp -56.0 -42.62 76.67 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.601 0.239 . . . . 0.0 111.036 -179.789 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.47 ' CE1' ' HB2' ' A' ' 64' ' ' ALA . 32.8 t80 -61.19 -38.79 87.82 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.614 -0.266 . . . . 0.0 111.042 179.833 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -44.67 -45.63 9.82 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 121.034 0.445 . . . . 0.0 111.025 179.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.722 ' CD1' HG21 ' A' ' 99' ' ' VAL . 7.9 t80 -59.14 -39.35 82.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.944 179.74 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 93.8 mt -66.52 -56.95 8.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.81 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.47 ' HB2' ' CE1' ' A' ' 60' ' ' PHE . . . -53.74 -47.2 70.86 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.308 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.4 ttmt -65.22 -54.2 33.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.44 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -60.86 -41.54 96.1 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 120.822 0.344 . . . . 0.0 110.878 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -77.8 -22.9 49.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.738 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 71.52 51.48 16.34 Favored Glycine 0 CA--C 1.519 0.307 0 C-N-CA 121.057 -0.592 . . . . 0.0 114.082 178.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.596 HG13 ' H ' ' A' ' 70' ' ' GLY . 0.4 OUTLIER -123.69 -79.79 0.25 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 CA-C-N 116.777 0.288 . . . . 0.0 111.038 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.596 ' H ' HG13 ' A' ' 69' ' ' VAL . . . 168.01 157.77 11.43 Favored Glycine 0 CA--C 1.52 0.354 0 C-N-CA 121.071 -0.585 . . . . 0.0 112.104 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.41 ' OG ' ' NH2' ' A' ' 26' ' ' ARG . 37.2 t -63.36 -19.11 64.36 Favored 'General case' 0 C--N 1.33 -0.257 0 O-C-N 122.664 -0.315 . . . . 0.0 111.585 179.29 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 23.6 p30 -114.41 12.51 17.5 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.694 -179.08 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -94.18 -164.18 36.15 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.388 -0.91 . . . . 0.0 112.914 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 85.0 p -142.05 154.7 45.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.82 0.343 . . . . 0.0 111.428 -179.096 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -116.47 144.49 44.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.672 179.446 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 12.4 p -87.05 177.22 7.28 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.009 0.433 . . . . 0.0 111.433 -179.525 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -65.94 -50.48 64.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.138 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -58.93 -26.42 64.36 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.882 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 23.8 mm-40 -71.26 -46.02 61.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.779 0.323 . . . . 0.0 111.122 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.407 ' O ' ' CB ' ' A' ' 84' ' ' THR . 68.4 t80 -52.79 -49.42 65.64 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.063 0.459 . . . . 0.0 110.923 179.713 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.922 HG23 HD13 ' A' ' 9' ' ' LEU . 50.8 mt -55.58 -56.17 13.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.532 -179.714 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -55.58 -52.79 62.56 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.74 -179.276 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 15.6 t -71.75 -36.37 58.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 -178.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.407 ' CB ' ' O ' ' A' ' 80' ' ' PHE . 26.0 m -63.43 -43.91 96.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.06 0.457 . . . . 0.0 110.024 179.607 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -50.43 -53.05 32.38 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.471 179.717 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -59.55 -38.7 81.79 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.36 -179.589 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.7 mt -58.06 -48.56 79.74 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.814 0.34 . . . . 0.0 111.008 179.78 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 6.3 mt -74.51 -37.07 43.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.228 -179.693 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -88.75 -81.63 0.26 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.862 0.363 . . . . 0.0 110.409 179.37 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.406 ' O ' ' HB2' ' A' ' 91' ' ' GLN . 0.4 OUTLIER -62.01 -162.35 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.831 179.819 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.406 ' HB2' ' O ' ' A' ' 90' ' ' GLU . 72.4 mm-40 73.31 134.94 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.059 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -78.2 158.27 45.73 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.462 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -53.01 -51.26 62.22 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.922 0.392 . . . . 0.0 111.08 -179.723 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.76 -13.26 30.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.946 -0.57 . . . . 0.0 112.232 -179.723 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 53.0 m -77.04 -48.59 17.46 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.935 0.398 . . . . 0.0 111.177 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.513 ' HE1' HD22 ' A' ' 100' ' ' LEU . 0.7 OUTLIER -66.81 -43.07 84.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.921 -179.734 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.415 ' O ' ' N ' ' A' ' 101' ' ' GLY . 6.5 m-20 -68.74 -34.39 75.53 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.702 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 1.7 ttp180 -62.14 -66.58 0.52 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.742 0.306 . . . . 0.0 111.507 -178.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.722 HG21 ' CD1' ' A' ' 62' ' ' TYR . 67.8 t -69.68 -35.12 64.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 112.47 0.544 . . . . 0.0 112.47 -178.236 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.513 HD22 ' HE1' ' A' ' 96' ' ' PHE . 0.6 OUTLIER -89.22 -26.07 21.41 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 119.587 -0.845 . . . . 0.0 111.901 -178.532 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 97' ' ' ASN . . . -38.6 -63.46 1.0 Allowed Glycine 0 CA--C 1.523 0.557 0 C-N-CA 121.227 -0.511 . . . . 0.0 113.142 179.682 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo -63.84 -9.34 18.5 Favored 'Trans proline' 0 CA--C 1.532 0.416 0 C-N-CA 122.684 2.256 . . . . 0.0 112.83 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.555 HG21 HD13 ' A' ' 59' ' ' LEU . 41.2 t -80.08 -54.9 10.02 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 CA-C-O 120.662 0.268 . . . . 0.0 111.022 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.879 ' O ' HG23 ' A' ' 108' ' ' VAL . 97.2 t -66.85 -31.66 54.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 121.061 0.457 . . . . 0.0 110.81 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 7.1 mttt -58.82 -47.03 86.22 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.025 178.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -51.87 -40.84 50.58 Favored Glycine 0 C--N 1.334 0.453 0 CA-C-N 115.86 -0.609 . . . . 0.0 112.696 179.726 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 78.1 mt -71.87 -39.47 67.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.992 0.425 . . . . 0.0 110.385 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.879 HG23 ' O ' ' A' ' 104' ' ' VAL . 13.9 t -64.45 -36.54 77.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.298 179.49 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -63.32 -37.95 95.66 Favored Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.885 -0.674 . . . . 0.0 112.94 -179.496 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' MET . . . . . 0.494 ' HG2' ' HB3' ' A' ' 48' ' ' GLU . 92.0 mtp -79.36 -24.73 42.48 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.712 0.291 . . . . 0.0 110.578 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 78.9 m -98.5 -17.81 18.54 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 113.293 0.849 . . . . 0.0 113.293 -177.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -67.51 103.74 1.4 Allowed 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.291 -0.564 . . . . 0.0 111.408 -178.57 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 23.0 mmtp -87.49 -17.93 31.0 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.057 179.208 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 40.3 p30 -110.69 1.48 17.95 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.768 -0.196 . . . . 0.0 111.342 179.239 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . 41.62 64.46 1.05 Allowed 'General case' 0 N--CA 1.462 0.172 0 N-CA-C 111.914 0.339 . . . . 0.0 111.914 179.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 56.7 p30 -121.81 -8.22 8.95 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 111.647 0.239 . . . . 0.0 111.647 179.24 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 83.19 4.98 89.44 Favored Glycine 0 C--N 1.334 0.447 0 C-N-CA 121.004 -0.617 . . . . 0.0 113.214 179.703 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -123.22 162.71 22.05 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.995 0.426 . . . . 0.0 110.926 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.561 HG13 HD11 ' A' ' 158' ' ' LEU . 49.3 mm -105.8 102.15 13.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.386 -179.62 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -84.12 162.35 20.31 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 179.617 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.417 ' HA ' ' CE2' ' A' ' 142' ' ' PHE . . . -53.38 -38.57 63.48 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 121.015 -0.274 . . . . 0.0 111.276 -179.146 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -70.21 -25.49 63.43 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.924 -0.398 . . . . 0.0 109.924 179.235 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -82.54 -46.87 12.83 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.978 -0.379 . . . . 0.0 109.978 178.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . 0.486 ' CD1' HG21 ' A' ' 119' ' ' ILE . 0.8 OUTLIER -56.9 -46.7 81.75 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.872 0.367 . . . . 0.0 111.073 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -59.23 -45.31 91.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.43 -179.596 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -55.31 -32.39 62.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.427 -179.487 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' TRP . . . . . 0.402 ' O ' ' HB3' ' A' ' 130' ' ' ALA . 17.0 t90 -87.85 -41.3 13.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.602 0.239 . . . . 0.0 111.564 -178.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.469 HD22 ' HA ' ' A' ' 138' ' ' ALA . 0.2 OUTLIER -56.64 -42.42 78.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.925 0.393 . . . . 0.0 110.217 179.852 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 12.4 p -70.13 -25.3 63.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.37 179.265 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . 0.402 ' HB3' ' O ' ' A' ' 127' ' ' TRP . . . -66.67 -38.3 86.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.596 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.434 HD21 ' CD1' ' A' ' 36' ' ' ILE . 12.7 mt -81.65 6.41 15.25 Favored 'General case' 0 N--CA 1.464 0.271 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 -177.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 99.77 22.81 11.61 Favored Glycine 0 CA--C 1.518 0.263 0 C-N-CA 120.391 -0.909 . . . . 0.0 113.231 179.051 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' MET . . . . . 0.406 ' HB2' ' O ' ' A' ' 128' ' ' LEU . 7.6 mmt -99.72 156.07 17.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.729 0.265 . . . . 0.0 110.721 179.504 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 1.1 m -82.21 169.17 16.89 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.138 0.494 . . . . 0.0 111.748 -179.515 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 1.8 mmtp -70.07 -18.57 63.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.858 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -89.16 -24.7 22.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.934 0.397 . . . . 0.0 110.953 179.54 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -69.25 -40.95 77.55 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.606 -179.028 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . 0.469 ' HA ' HD22 ' A' ' 128' ' ' LEU . . . -61.0 -61.05 2.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.817 0.341 . . . . 0.0 111.24 -179.566 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -44.96 -45.16 10.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.118 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.57 -49.28 55.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.86 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . 0.707 ' O ' HG23 ' A' ' 145' ' ' VAL . . . -62.07 -40.07 94.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.397 -179.444 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 142' ' ' PHE . . . . . 0.417 ' CE2' ' HA ' ' A' ' 121' ' ' ALA . 55.0 t80 -49.8 -58.92 4.4 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.979 179.347 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -55.91 -38.04 69.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.091 -0.504 . . . . 0.0 112.125 -179.334 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -63.41 -35.2 79.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.974 0.416 . . . . 0.0 111.224 -179.506 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . 0.707 HG23 ' O ' ' A' ' 141' ' ' ALA . 13.2 t -83.72 -38.36 14.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.752 -0.658 . . . . 0.0 112.754 -178.12 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.92 78.31 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.037 0.446 . . . . 0.0 111.51 -179.007 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 147' ' ' THR . . . . . 0.451 ' N ' ' O ' ' A' ' 145' ' ' VAL . 1.9 m -56.84 -29.84 63.23 Favored 'General case' 0 N--CA 1.463 0.208 0 N-CA-C 112.959 0.726 . . . . 0.0 112.959 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -102.6 8.38 39.77 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -178.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 38.14 35.03 0.24 Allowed Glycine 0 C--N 1.339 0.71 0 C-N-CA 121.305 -0.474 . . . . 0.0 113.452 179.546 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 15.6 p-10 -91.53 -4.59 55.27 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 -179.275 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 92.08 -1.03 73.27 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.414 -0.898 . . . . 0.0 113.366 179.251 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -134.67 135.01 41.74 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 117.269 0.535 . . . . 0.0 110.525 179.633 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 0.469 ' HA ' HD23 ' A' ' 153' ' ' LEU . 8.3 mt -93.39 113.13 25.22 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.899 178.841 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.4 157.11 17.77 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.968 -179.223 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 155' ' ' LEU . . . . . 0.415 ' O ' ' HG ' ' A' ' 159' ' ' LEU . 46.1 mt -49.62 -42.91 46.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.404 179.594 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.58 -53.57 54.84 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.39 -179.7 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -63.13 -19.86 64.85 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.648 0.61 . . . . 0.0 112.648 -178.608 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 158' ' ' LEU . . . . . 0.561 HD11 HG13 ' A' ' 119' ' ' ILE . 62.8 mt -75.05 -69.69 0.46 Allowed 'General case' 0 CA--C 1.53 0.187 0 CA-C-O 121.065 0.46 . . . . 0.0 110.973 179.088 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 0.555 ' CD2' HG21 ' A' ' 104' ' ' VAL . 0.7 OUTLIER . . . . . 0 N--CA 1.469 0.489 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.648 -179.142 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 12.6 t . . . . . 0 N--CA 1.488 1.429 0 CA-C-O 120.818 0.342 . . . . 0.0 111.243 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -74.62 140.17 44.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.084 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -153.97 -81.82 0.08 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.012 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 36.9 mm -80.33 -26.67 11.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.927 179.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.75 -35.98 82.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.972 -179.34 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.0 p -60.7 -49.7 76.45 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.804 0.335 . . . . 0.0 111.37 -179.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -56.2 -48.89 75.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.682 -179.366 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.25 -48.21 82.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.486 -178.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.8 mt -76.73 -29.09 56.05 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.699 0.285 . . . . 0.0 111.536 -179.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.9 tmtt? -61.04 -55.06 37.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.748 0.308 . . . . 0.0 111.137 -179.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 44.4 mttp -58.63 -45.39 89.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.927 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.97 -28.14 1.52 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.179 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.419 ' CD2' ' OE1' ' A' ' 77' ' ' GLU . 68.3 t80 -72.69 -58.72 3.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.243 179.699 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.95 -14.42 62.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.909 179.2 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 8.8 mtp180 -73.73 -25.35 60.15 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.684 -0.235 . . . . 0.0 111.127 -179.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 56.3 m95 -97.45 -98.29 0.2 Allowed 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.852 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 39.71 73.94 0.11 Allowed 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 120.991 0.424 . . . . 0.0 111.517 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.407 ' CE2' ' N ' ' A' ' 32' ' ' GLU . 0.3 OUTLIER -54.39 -50.97 66.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.344 -179.023 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 18.3 p-10 -97.88 -12.17 22.41 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 111.611 0.226 . . . . 0.0 111.611 -179.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 74.6 45.72 21.74 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.575 -0.822 . . . . 0.0 112.325 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 15.6 p-10 -92.15 -10.23 39.56 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.701 0.26 . . . . 0.0 111.701 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 84.91 20.13 58.31 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.488 -0.863 . . . . 0.0 112.19 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.599 ' HB1' ' HB2' ' A' ' 74' ' ' SER . . . -155.26 175.2 14.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.792 0.33 . . . . 0.0 110.678 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -112.67 116.29 29.91 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.796 179.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.403 ' O ' ' HB2' ' A' ' 28' ' ' ASP . 13.6 mt-10 -116.2 172.07 7.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.447 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 21.8 ttt180 -69.69 -39.19 77.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.192 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.89 -22.59 49.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 179.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.403 ' HB2' ' O ' ' A' ' 25' ' ' GLU . 0.4 OUTLIER -71.42 -28.49 64.03 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.764 179.221 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -77.07 -36.54 55.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.975 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -64.75 -44.68 89.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.043 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.3 mttp -64.42 -37.88 89.09 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.118 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.423 ' O ' HG12 ' A' ' 36' ' ' ILE . 1.9 tm-20 -52.36 -63.64 1.08 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.226 179.475 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -47.0 -48.61 21.72 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.933 0.397 . . . . 0.0 111.039 179.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.32 -52.39 63.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.407 179.654 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -54.45 -26.67 32.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.883 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.423 HG12 ' O ' ' A' ' 32' ' ' GLU . 28.8 mm -82.5 -53.36 11.91 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.973 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -43.25 -43.17 4.67 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 121.024 0.44 . . . . 0.0 111.218 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -60.12 -38.72 83.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.535 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -57.36 -26.22 60.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.413 -179.413 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -90.24 6.38 43.11 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.58 0.229 . . . . 0.0 111.45 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 50.83 69.86 1.0 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.436 -0.888 . . . . 0.0 112.24 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.6 mttm -148.3 -152.81 0.46 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 110.149 -0.315 . . . . 0.0 110.149 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -68.8 -166.76 0.08 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.01 0.433 . . . . 0.0 111.562 -179.259 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -140.32 -60.08 0.53 Allowed 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 178.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -93.43 22.94 32.45 Favored Glycine 0 N--CA 1.451 -0.311 0 CA-C-N 114.932 -1.031 . . . . 0.0 112.232 179.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.24 -159.43 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 117.442 0.621 . . . . 0.0 110.845 179.181 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -89.24 -51.47 5.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.948 0.404 . . . . 0.0 110.388 178.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -51.79 -40.5 60.47 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.708 -179.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 43.1 t -76.41 -41.32 35.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 C-N-CA 121.05 -0.26 . . . . 0.0 110.443 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -60.75 -40.71 93.48 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 178.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 21.1 m -57.22 -58.83 6.49 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.04 178.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 50.0 tp -50.33 -58.77 4.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.317 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.81 -39.13 52.15 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.894 0.378 . . . . 0.0 110.219 179.129 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -58.98 -43.73 91.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.255 179.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.41 -49.94 56.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.055 179.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -51.15 -30.9 18.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.983 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -62.59 -51.14 58.26 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.537 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -61.13 -28.55 69.19 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.579 -0.82 . . . . 0.0 112.358 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.741 HD12 HG21 ' A' ' 103' ' ' VAL . 0.6 OUTLIER -56.05 -41.74 75.49 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.874 0.369 . . . . 0.0 110.573 179.885 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 77.6 t80 -60.23 -40.81 91.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.425 179.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -45.27 -49.71 12.33 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.441 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -57.22 -39.26 75.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.966 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.458 ' HB3' HD11 ' A' ' 75' ' ' LEU . 80.2 mt -64.73 -54.37 32.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.846 179.58 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -56.0 -42.04 75.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.957 0.408 . . . . 0.0 110.903 179.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.7 -57.02 7.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.376 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -60.55 -42.15 95.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.891 -179.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.443 ' CB ' ' CD2' ' A' ' 75' ' ' LEU . . . -76.06 -25.98 56.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.974 0.416 . . . . 0.0 111.255 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 75.82 45.8 15.87 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 121.113 -0.565 . . . . 0.0 113.809 178.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 41.7 t -115.99 -78.66 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.762 0.281 . . . . 0.0 111.228 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 166.56 158.22 10.98 Favored Glycine 0 C--N 1.331 0.293 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.333 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 23.6 t -61.72 -21.93 64.93 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.695 0.283 . . . . 0.0 111.107 179.236 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -114.34 12.09 17.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.368 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -92.65 -165.83 38.65 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.564 -0.827 . . . . 0.0 112.271 179.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.599 ' HB2' ' HB1' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -141.4 154.14 45.44 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.049 0.452 . . . . 0.0 111.787 -179.155 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.458 HD11 ' HB3' ' A' ' 63' ' ' LEU . 1.3 mt -113.72 140.09 48.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.294 179.318 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 3.0 p -87.13 177.66 7.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.876 0.369 . . . . 0.0 111.1 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.419 ' OE1' ' CD2' ' A' ' 13' ' ' PHE . 2.3 tt0 -65.61 -50.83 63.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.188 179.663 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.53 -29.61 66.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.405 179.513 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.446 ' O ' HG22 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -72.74 -43.89 62.34 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.936 0.398 . . . . 0.0 110.576 179.335 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.681 ' O ' HG23 ' A' ' 84' ' ' THR . 6.9 t80 -52.63 -56.53 14.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.836 179.407 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 49.7 mt -54.02 -51.63 44.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.715 -179.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 7.6 ttt85 -56.56 -51.36 68.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.52 -179.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.446 HG22 ' O ' ' A' ' 79' ' ' GLN . 16.7 m -72.3 -39.93 64.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 -179.331 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.681 HG23 ' O ' ' A' ' 80' ' ' PHE . 36.7 p -61.15 -44.41 97.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.901 0.381 . . . . 0.0 110.194 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -49.71 -51.91 35.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.163 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.418 ' O ' ' N ' ' A' ' 90' ' ' GLU . 0.4 OUTLIER -60.1 -38.3 82.55 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.162 179.892 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.2 mt -58.7 -45.65 89.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.985 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.529 HD12 ' HG3' ' A' ' 163' ' ' ARG . 4.9 mm -73.35 -43.76 55.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.912 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -90.13 -78.33 0.37 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.889 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.418 ' N ' ' O ' ' A' ' 86' ' ' ASN . 0.3 OUTLIER -57.32 -162.12 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.897 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 66.88 147.64 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.646 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -79.96 155.53 38.85 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.794 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -52.62 -53.8 41.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.128 0.49 . . . . 0.0 110.168 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -63.08 -11.13 17.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.926 179.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 4.3 m -74.78 -43.97 51.99 Favored 'General case' 0 C--N 1.334 -0.089 0 CA-C-O 120.816 0.341 . . . . 0.0 111.074 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.444 ' CZ ' ' HG2' ' A' ' 163' ' ' ARG . 8.9 t80 -68.41 -42.04 79.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.087 0.47 . . . . 0.0 110.25 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 43.7 t30 -67.25 -34.18 76.89 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.151 179.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 12.6 mmm-85 -63.7 -61.4 2.33 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.115 -0.493 . . . . 0.0 112.101 -179.42 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 10.5 t -76.75 -36.09 26.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 N-CA-C 113.008 0.744 . . . . 0.0 113.008 -177.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.826 HD13 ' HB ' ' A' ' 103' ' ' VAL . 0.2 OUTLIER -88.05 -27.62 21.88 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 119.708 -0.797 . . . . 0.0 111.558 -178.203 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.465 ' N ' ' HD2' ' A' ' 102' ' ' PRO . . . -43.48 -57.87 4.25 Favored Glycine 0 CA--C 1.522 0.518 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.848 179.58 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.465 ' HD2' ' N ' ' A' ' 101' ' ' GLY . 31.8 Cg_endo -64.58 -17.95 61.22 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.551 2.167 . . . . 0.0 112.261 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.826 ' HB ' HD13 ' A' ' 100' ' ' LEU . 44.4 t -81.05 -51.64 15.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 C-N-CA 120.786 -0.366 . . . . 0.0 110.452 179.715 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.811 HG21 HD22 ' A' ' 159' ' ' LEU . 4.4 t -69.59 -36.7 72.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.286 179.035 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.19 -58.04 9.32 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.697 179.561 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -42.91 -32.68 1.49 Allowed Glycine 0 C--N 1.333 0.409 0 C-N-CA 120.918 -0.658 . . . . 0.0 112.549 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 15.9 mt -74.57 -38.92 46.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.767 0.318 . . . . 0.0 110.853 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.724 HG21 ' CD2' ' A' ' 155' ' ' LEU . 46.3 t -63.7 -35.71 73.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.694 179.519 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -58.52 -42.29 95.88 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.118 179.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -79.4 -23.36 43.31 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 179.53 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 8.5 t -94.62 43.95 1.1 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.192 0.52 . . . . 0.0 111.346 -178.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -166.56 108.62 0.71 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.47 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.77 4.81 53.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.04 178.338 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 17.5 p30 -107.99 -19.58 13.46 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-O 120.801 0.334 . . . . 0.0 110.719 179.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . 65.67 61.44 0.68 Allowed 'General case' 0 C--N 1.334 -0.081 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.929 179.316 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 58.2 p30 -115.27 -14.0 11.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.34 179.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 81.25 8.83 86.77 Favored Glycine 0 CA--C 1.521 0.419 0 C-N-CA 120.838 -0.696 . . . . 0.0 113.077 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -125.17 164.26 20.65 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.024 0.44 . . . . 0.0 111.608 -179.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.693 HG13 HD11 ' A' ' 158' ' ' LEU . 35.8 mm -110.89 102.4 13.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.642 -179.302 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . 0.406 ' O ' ' N ' ' A' ' 123' ' ' GLU . 2.8 m-20 -85.08 158.16 20.51 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 179.332 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -47.42 -38.29 13.1 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 111.573 0.212 . . . . 0.0 111.573 -178.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -69.48 -26.44 64.56 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 110.024 -0.361 . . . . 0.0 110.024 179.284 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 120' ' ' ASN . 42.4 mt-10 -81.39 -46.29 14.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.056 178.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . 0.529 ' CE2' HD11 ' A' ' 128' ' ' LEU . 1.9 t80 -57.25 -49.31 76.45 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.0 0.428 . . . . 0.0 111.071 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.425 ' HA ' ' CB ' ' A' ' 138' ' ' ALA . . . -55.36 -46.2 76.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.064 -179.612 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -54.48 -32.82 58.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.613 -179.612 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 14.2 t90 -82.94 -43.72 16.14 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 111.813 0.301 . . . . 0.0 111.813 -179.047 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.529 HD11 ' CE2' ' A' ' 124' ' ' PHE . 0.3 OUTLIER -60.37 -40.55 91.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.087 -179.327 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . 0.421 ' HA ' ' O ' ' A' ' 133' ' ' MET . 0.2 OUTLIER -72.52 -27.08 62.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.058 0.456 . . . . 0.0 109.918 179.05 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -65.53 -37.93 88.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.732 179.362 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 31.9 mt -85.49 -6.28 59.21 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 112.215 0.45 . . . . 0.0 112.215 -178.385 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 112.11 26.88 4.18 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.213 -0.994 . . . . 0.0 113.769 179.015 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' MET . . . . . 0.421 ' O ' ' HA ' ' A' ' 129' ' ' THR . 60.6 mmm -102.62 153.09 20.44 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 117.074 0.437 . . . . 0.0 110.054 179.118 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.04 164.28 23.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.761 0.315 . . . . 0.0 111.204 -179.396 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -65.38 -26.34 67.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.381 -179.357 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -80.38 -24.47 39.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.199 179.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -72.32 -41.22 66.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.625 -179.23 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . 0.425 ' CB ' ' HA ' ' A' ' 125' ' ' ALA . . . -59.32 -55.56 33.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.967 0.413 . . . . 0.0 110.923 -179.762 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -49.32 -41.92 40.01 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.52 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.34 -48.76 54.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.99 -179.3 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . 0.717 ' O ' HG23 ' A' ' 145' ' ' VAL . . . -63.5 -36.64 84.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.887 0.375 . . . . 0.0 111.733 -179.031 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 73.9 t80 -54.75 -60.16 3.73 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.01 179.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -55.07 -35.73 64.85 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.908 -0.587 . . . . 0.0 112.152 -178.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.75 -30.64 70.91 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 111.811 0.3 . . . . 0.0 111.811 -179.266 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 0.75 HG13 ' HB2' ' A' ' 161' ' ' ALA . 19.7 t -83.82 -35.45 11.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 -178.333 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -61.5 78.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.125 0.488 . . . . 0.0 111.493 -179.078 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . 0.444 ' N ' ' O ' ' A' ' 145' ' ' VAL . 65.0 m -56.08 -33.32 64.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.53 -0.759 . . . . 0.0 112.524 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -99.05 7.51 45.86 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.467 0.543 . . . . 0.0 112.467 -178.462 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 41.38 41.2 2.94 Favored Glycine 0 C--N 1.335 0.481 0 C-N-CA 120.919 -0.657 . . . . 0.0 113.027 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 42.8 p30 -98.41 -7.61 28.38 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 111.799 0.296 . . . . 0.0 111.799 -179.376 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 90.43 2.78 72.85 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.485 -0.864 . . . . 0.0 113.62 179.126 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -132.95 134.48 44.57 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 117.548 0.674 . . . . 0.0 110.824 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.472 ' HA ' HD23 ' A' ' 153' ' ' LEU . 12.7 mt -101.97 104.33 15.01 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.553 179.588 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.26 162.09 15.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.387 -179.536 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 155' ' ' LEU . . . . . 0.724 ' CD2' HG21 ' A' ' 108' ' ' VAL . 0.3 OUTLIER -41.63 -40.72 2.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.552 -179.821 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.4 -60.85 3.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.07 0.462 . . . . 0.0 111.049 179.723 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -64.46 -14.09 55.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.89 -0.596 . . . . 0.0 112.253 -179.145 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . 0.805 ' O ' HG23 ' A' ' 162' ' ' VAL . 10.1 mt -71.29 -60.1 2.41 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.943 0.401 . . . . 0.0 110.957 179.738 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.811 HD22 HG21 ' A' ' 104' ' ' VAL . 0.5 OUTLIER -56.16 -40.19 73.49 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.005 -179.701 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 90.3 m -51.8 -57.19 10.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.868 0.366 . . . . 0.0 110.378 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 161' ' ' ALA . . . . . 0.75 ' HB2' HG13 ' A' ' 145' ' ' VAL . . . -62.74 -41.12 99.04 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.698 179.219 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 162' ' ' VAL . . . . . 0.805 HG23 ' O ' ' A' ' 158' ' ' LEU . 84.8 t -51.29 -73.6 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.956 179.809 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 163' ' ' ARG . . . . . 0.529 ' HG3' HD12 ' A' ' 88' ' ' ILE . 0.0 OUTLIER -78.88 90.7 4.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.862 179.879 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . 0.43 ' O ' HD21 ' A' ' 170' ' ' LEU . 0.4 OUTLIER -171.12 34.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.071 -179.942 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 51.0 p90 -99.94 -8.82 23.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.474 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -47.31 -71.73 0.07 Allowed 'General case' 0 C--O 1.232 0.135 0 CA-C-O 120.831 0.348 . . . . 0.0 110.952 179.778 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 167' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -104.8 121.91 44.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.909 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . 50.19 82.29 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.472 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 169' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -48.17 137.08 11.11 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.803 0.335 . . . . 0.0 111.236 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 170' ' ' LEU . . . . . 0.43 HD21 ' O ' ' A' ' 164' ' ' ASP . 0.1 OUTLIER -115.96 -52.09 2.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.654 179.848 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . 0.517 ' C ' HG23 ' A' ' 172' ' ' VAL . 27.2 t0 -104.69 -24.57 12.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.804 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 172' ' ' VAL . . . . . 0.517 HG23 ' C ' ' A' ' 171' ' ' ASP . 5.6 t 81.93 23.92 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.194 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.463 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 173' ' ' GLU . . . . . 0.41 ' HA ' ' O ' ' A' ' 162' ' ' VAL . 0.1 OUTLIER 49.83 -163.08 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.402 179.81 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 84.9 mt -61.79 -60.41 3.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.321 -179.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 175' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -50.73 145.91 6.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.813 0.339 . . . . 0.0 110.861 -179.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.107 0 CA-C-O 118.37 -1.239 . . . . 0.0 112.417 -179.93 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 500' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 501' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 502' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 62.5 p . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.802 0.334 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.1 t -68.93 173.36 5.45 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.015 0.436 . . . . 0.0 110.95 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -164.17 -79.85 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.545 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 42.1 mt -82.94 -21.36 9.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.453 179.459 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.437 ' HA ' ' NE ' ' A' ' 8' ' ' ARG . . . -61.85 -40.47 95.46 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.203 -0.453 . . . . 0.0 112.211 -179.083 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.69 -49.34 77.89 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.984 0.421 . . . . 0.0 111.149 -179.674 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -51.97 -54.28 31.55 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.94 -179.372 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.437 ' NE ' ' HA ' ' A' ' 5' ' ' ALA . 0.4 OUTLIER -63.06 -43.73 97.78 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.23 0.456 . . . . 0.0 112.23 -178.606 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.552 HD13 HG23 ' A' ' 81' ' ' ILE . 85.4 mt -76.35 -36.6 58.13 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 -178.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.99 -55.61 32.67 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.785 0.326 . . . . 0.0 111.056 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.409 ' O ' ' N ' ' A' ' 15' ' ' ARG . 32.2 mtmt -57.69 -45.41 85.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.136 -179.715 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -48.11 -31.02 5.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.482 -179.774 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -73.31 -60.86 2.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.969 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -68.36 -17.84 64.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.84 179.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.409 ' N ' ' O ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -73.41 -16.64 61.32 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.665 0.269 . . . . 0.0 111.113 179.915 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 41.9 m0 -103.16 -98.38 0.3 Allowed 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 116.68 -0.236 . . . . 0.0 110.992 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 40.84 78.23 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 120.813 0.34 . . . . 0.0 111.879 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.43 ' CE2' ' HB3' ' A' ' 31' ' ' LYS . 0.2 OUTLIER -55.93 -50.35 70.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.825 -179.106 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.402 ' OD1' ' N ' ' A' ' 19' ' ' ASP . 11.9 p-10 -96.2 -13.99 23.06 Favored 'General case' 0 CA--C 1.53 0.208 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 -179.221 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 78.95 42.53 12.37 Favored Glycine 0 CA--C 1.518 0.27 0 C-N-CA 120.449 -0.881 . . . . 0.0 112.678 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 39.1 p-10 -93.82 -8.18 41.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.859 0.33 . . . . 0.0 111.664 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 81.42 22.15 60.96 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.461 -0.876 . . . . 0.0 112.14 -179.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.646 ' HB1' ' HB3' ' A' ' 74' ' ' SER . . . -156.2 171.82 19.53 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.6 0.238 . . . . 0.0 110.496 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.799 ' HB3' HD12 ' A' ' 75' ' ' LEU . 0.9 OUTLIER -110.89 121.07 44.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.783 0.325 . . . . 0.0 110.512 179.615 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -120.42 172.87 7.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 7.0 ptt-85 -70.53 -35.36 73.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.843 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.72 -21.55 64.6 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.134 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -69.11 -29.98 68.17 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.894 0.378 . . . . 0.0 109.984 179.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.408 ' HB3' ' CG ' ' A' ' 56' ' ' PHE . 20.7 m-85 -76.94 -35.32 57.36 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.346 179.48 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -65.75 -42.53 90.82 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.573 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.43 ' HB3' ' CE2' ' A' ' 18' ' ' PHE . 15.8 mmtt -66.22 -44.46 83.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.824 0.345 . . . . 0.0 110.283 179.614 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.41 ' HA ' ' CZ ' ' A' ' 18' ' ' PHE . 3.7 tp10 -49.13 -64.02 0.93 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.416 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.433 ' HB3' ' HG3' ' A' ' 53' ' ' LYS . . . -44.19 -46.67 8.99 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.01 0.433 . . . . 0.0 111.048 179.404 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.09 -54.13 42.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.36 179.34 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 37.8 t-80 -52.22 -36.01 50.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.58 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 57.4 mt -72.61 -53.16 19.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.667 179.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -44.69 -44.18 8.92 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.046 179.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 -59.56 -40.69 88.11 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.526 179.35 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.3 -26.31 66.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.567 179.491 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -92.14 0.92 57.47 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.421 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 66.58 17.54 66.9 Favored Glycine 0 C--N 1.333 0.386 0 C-N-CA 120.512 -0.852 . . . . 0.0 112.488 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.7 mmmp? -92.61 157.51 16.46 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.907 0.384 . . . . 0.0 111.207 -179.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -72.78 127.24 31.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.516 179.546 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.588 ' O ' HG11 ' A' ' 49' ' ' VAL . . . -68.84 -14.18 62.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.467 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -103.7 12.64 53.69 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.356 -0.926 . . . . 0.0 113.73 -178.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.15 -164.01 0.05 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 117.282 0.541 . . . . 0.0 110.846 179.272 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -92.48 -46.36 7.68 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.239 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.0 -25.15 66.68 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.868 -179.151 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.588 HG11 ' O ' ' A' ' 44' ' ' ALA . 11.0 p -76.22 -44.43 36.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 120.868 0.366 . . . . 0.0 110.494 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.497 ' N ' HG13 ' A' ' 49' ' ' VAL . 1.8 tt0 -60.67 -41.6 95.4 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 179.011 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 59.1 m -59.95 -54.83 41.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.061 178.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 58.5 tp -51.27 -61.08 2.45 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.159 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.433 ' HG3' ' HB3' ' A' ' 33' ' ' ALA . 5.4 mtpm? -51.38 -39.44 57.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.739 0.304 . . . . 0.0 110.443 179.172 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -58.5 -41.67 85.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.636 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.43 -50.41 52.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.985 0.422 . . . . 0.0 110.741 179.422 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.408 ' CG ' ' HB3' ' A' ' 29' ' ' PHE . 0.1 OUTLIER -53.04 -28.54 24.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.682 179.786 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -63.04 -52.23 49.41 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.485 -0.864 . . . . 0.0 112.327 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -60.83 -26.37 65.13 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.571 -0.823 . . . . 0.0 112.574 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.725 HD23 HG21 ' A' ' 103' ' ' VAL . 1.0 OUTLIER -56.01 -43.8 78.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.735 0.303 . . . . 0.0 110.593 -179.819 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.415 ' CE1' ' HB2' ' A' ' 64' ' ' ALA . 56.6 t80 -59.28 -40.98 87.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.159 179.575 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -43.94 -48.69 8.59 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.902 0.382 . . . . 0.0 110.858 179.617 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 55.9 t80 -59.65 -39.73 85.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.465 179.369 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 14.6 mt -65.06 -55.32 19.54 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.644 179.688 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.548 ' HB1' ' O ' ' A' ' 69' ' ' VAL . . . -55.38 -48.49 74.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.59 179.505 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 4.6 mtmt -64.25 -51.54 63.1 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.88 0.371 . . . . 0.0 110.602 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -61.57 -41.5 97.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.797 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -75.31 -26.06 58.37 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.069 0.461 . . . . 0.0 111.385 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 102.65 1.57 49.74 Favored Glycine 0 CA--C 1.519 0.314 0 C-N-CA 120.803 -0.713 . . . . 0.0 113.921 178.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.548 ' O ' ' HB1' ' A' ' 64' ' ' ALA . 33.7 m -103.46 175.6 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 117.13 0.465 . . . . 0.0 110.576 179.697 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -84.61 175.6 50.79 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.916 -0.659 . . . . 0.0 114.086 -178.265 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.91 -15.66 59.59 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 115.099 -0.55 . . . . 0.0 110.915 178.198 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -111.57 13.0 21.31 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 122.573 0.349 . . . . 0.0 111.678 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -93.05 -164.42 37.64 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.437 -0.887 . . . . 0.0 112.703 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.646 ' HB3' ' HB1' ' A' ' 23' ' ' ALA . 58.2 m -141.61 153.74 44.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.926 0.394 . . . . 0.0 111.224 -179.173 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.799 HD12 ' HB3' ' A' ' 24' ' ' LEU . 0.1 OUTLIER -115.86 141.19 48.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.45 179.664 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 7.8 p -85.58 178.67 7.31 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.828 0.347 . . . . 0.0 111.082 -179.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -71.45 -49.42 41.67 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.526 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -57.53 -31.69 66.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.077 179.37 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.482 ' O ' HG22 ' A' ' 83' ' ' VAL . 6.8 mt-30 -73.79 -41.37 62.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.03 178.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -53.11 -51.53 61.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.355 178.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.552 HG23 HD13 ' A' ' 9' ' ' LEU . 59.9 mt -55.91 -52.07 53.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.484 -179.818 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.77 -52.0 67.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.785 -179.612 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.482 HG22 ' O ' ' A' ' 79' ' ' GLN . 18.5 m -72.02 -42.26 68.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 N-CA-C 112.022 0.379 . . . . 0.0 112.022 -179.332 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.453 ' N ' HG23 ' A' ' 83' ' ' VAL . 83.2 m -61.16 -46.75 89.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.022 0.439 . . . . 0.0 110.374 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -50.88 -47.93 60.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.85 -0.613 . . . . 0.0 111.411 -179.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.404 ' OD1' ' HB3' ' A' ' 90' ' ' GLU . 0.6 OUTLIER -59.04 -37.69 77.6 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.425 -179.733 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.8 mt -60.45 -47.97 83.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.389 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 28.0 mm -71.0 -45.07 74.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.509 -179.39 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 -89.2 -78.29 0.36 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.72 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.404 ' HB3' ' OD1' ' A' ' 86' ' ' ASN . 0.0 OUTLIER -62.58 -158.53 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.701 179.856 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 66.42 142.79 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.935 0.397 . . . . 0.0 110.677 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -76.17 155.85 46.39 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.959 -0.638 . . . . 0.0 113.185 -179.455 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -55.15 -52.93 61.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.164 0.506 . . . . 0.0 110.434 179.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.63 -11.96 20.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.541 -0.754 . . . . 0.0 112.164 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.4 t -74.86 -42.99 56.85 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.728 0.299 . . . . 0.0 110.897 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.771 ' CE1' HD22 ' A' ' 100' ' ' LEU . 0.2 OUTLIER -68.72 -43.05 76.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.071 179.896 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 20.8 m-20 -66.36 -37.04 84.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.653 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.411 ' O ' ' HD3' ' A' ' 102' ' ' PRO . 7.8 ttm180 -63.66 -64.66 0.84 Allowed 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.305 0.483 . . . . 0.0 112.305 -179.033 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.679 HG12 HD22 ' A' ' 59' ' ' LEU . 38.2 t -70.55 -35.75 62.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 112.917 0.71 . . . . 0.0 112.917 -177.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.771 HD22 ' CE1' ' A' ' 96' ' ' PHE . 5.1 tp -87.95 -28.12 21.68 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 119.893 -0.723 . . . . 0.0 111.65 -178.149 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -44.95 -56.84 5.7 Favored Glycine 0 CA--C 1.519 0.322 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.45 179.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.411 ' HD3' ' O ' ' A' ' 98' ' ' ARG . 23.5 Cg_exo -62.77 -20.15 70.37 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.721 2.28 . . . . 0.0 111.845 179.425 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.725 HG21 HD23 ' A' ' 59' ' ' LEU . 6.3 t -78.37 -51.69 17.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.046 -179.545 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.818 ' CG1' HD13 ' A' ' 158' ' ' LEU . 8.5 t -68.2 -32.83 57.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 120.981 0.42 . . . . 0.0 110.929 179.606 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -56.64 -53.39 58.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.692 179.467 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -47.26 -36.13 10.05 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.746 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.427 ' O ' ' HG3' ' A' ' 110' ' ' MET . 23.9 mt -74.44 -39.0 47.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.802 0.334 . . . . 0.0 111.226 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.72 HG13 HD11 ' A' ' 119' ' ' ILE . 35.1 t -60.81 -37.18 75.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.742 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -57.89 -42.13 94.55 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.429 179.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . 0.427 ' HG3' ' O ' ' A' ' 107' ' ' ILE . 4.1 ptp -79.66 -26.55 41.01 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.804 0.335 . . . . 0.0 110.505 179.734 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 65.2 m -93.48 45.3 1.16 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.15 0.5 . . . . 0.0 111.309 -178.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 34.0 t0 -165.9 107.91 0.75 Allowed 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.585 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -93.55 -3.03 53.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.149 178.724 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -102.04 -13.26 17.61 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-O 120.596 0.236 . . . . 0.0 110.877 179.528 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . 61.99 56.96 2.2 Favored 'General case' 0 C--N 1.332 -0.155 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 179.15 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 47.4 p30 -112.83 -12.64 13.29 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 121.022 -0.271 . . . . 0.0 111.202 179.173 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 79.73 8.65 87.54 Favored Glycine 0 C--N 1.334 0.431 0 C-N-CA 120.82 -0.705 . . . . 0.0 113.346 179.328 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -121.4 165.19 15.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.032 0.444 . . . . 0.0 111.447 -179.51 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.72 HD11 HG13 ' A' ' 108' ' ' VAL . 41.1 mm -111.54 99.69 9.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.74 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . 0.44 ' O ' ' N ' ' A' ' 123' ' ' GLU . 5.9 m120 -85.72 160.27 19.57 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 179.506 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.495 ' HB2' ' CE2' ' A' ' 142' ' ' PHE . . . -47.97 -36.84 13.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.731 0.3 . . . . 0.0 110.839 -179.188 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -71.14 -28.58 64.38 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.013 179.002 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 120' ' ' ASN . 45.5 mt-10 -81.73 -48.96 10.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.159 179.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -56.7 -51.74 67.62 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.799 0.333 . . . . 0.0 111.083 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.421 ' HA ' ' CB ' ' A' ' 138' ' ' ALA . . . -53.13 -43.36 66.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.673 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -57.38 -34.11 68.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.588 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' TRP . . . . . 0.461 ' O ' ' HB3' ' A' ' 130' ' ' ALA . 13.5 t90 -81.87 -41.74 20.55 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 111.765 0.283 . . . . 0.0 111.765 -178.776 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.466 HD12 ' HA ' ' A' ' 138' ' ' ALA . 50.6 mt -61.0 -42.17 97.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.95 0.405 . . . . 0.0 110.869 -179.725 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . 0.412 HG22 ' O ' ' A' ' 133' ' ' MET . 40.3 p -71.45 -19.64 62.2 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.311 179.001 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . 0.461 ' HB3' ' O ' ' A' ' 127' ' ' TRP . . . -63.78 -36.53 84.2 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.933 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -87.82 -5.49 58.59 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.62 -0.264 . . . . 0.0 111.572 -179.435 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 111.83 33.81 2.15 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.204 -0.998 . . . . 0.0 113.233 179.522 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' MET . . . . . 0.412 ' O ' HG22 ' A' ' 129' ' ' THR . 9.8 mmt -101.75 153.01 20.18 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 179.149 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 52.6 p -82.72 149.74 27.12 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.618 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 1.6 tptt -56.09 -25.34 45.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.929 -179.096 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -75.65 -25.99 57.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.917 0.389 . . . . 0.0 111.027 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -73.34 -33.94 65.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.674 -179.388 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . 0.466 ' HA ' HD12 ' A' ' 128' ' ' LEU . . . -60.99 -59.34 5.53 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.037 0.446 . . . . 0.0 110.742 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -47.57 -43.49 25.43 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.24 179.551 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.42 -51.2 31.2 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.751 -179.382 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . 0.59 ' O ' HG23 ' A' ' 145' ' ' VAL . . . -63.07 -36.04 82.25 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.115 0.483 . . . . 0.0 111.188 -179.187 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' PHE . . . . . 0.495 ' CE2' ' HB2' ' A' ' 121' ' ' ALA . 71.9 t80 -54.42 -59.96 3.99 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.02 179.446 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 40.0 t30 -56.83 -34.31 67.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.477 -0.783 . . . . 0.0 112.912 -178.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' GLN . . . . . 0.582 ' OE1' HG13 ' A' ' 172' ' ' VAL . 0.1 OUTLIER -67.3 -33.28 74.96 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 112.25 0.463 . . . . 0.0 112.25 -178.702 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 0.875 HG13 ' HB2' ' A' ' 161' ' ' ALA . 13.3 t -84.76 -33.07 7.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 N-CA-C 112.626 0.602 . . . . 0.0 112.626 -178.153 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.15 78.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.026 0.441 . . . . 0.0 111.368 -179.36 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . 0.436 ' N ' ' O ' ' A' ' 145' ' ' VAL . 0.2 OUTLIER -56.56 -34.7 67.37 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.629 -0.714 . . . . 0.0 112.56 179.468 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' ASN . . . . . 0.417 ' ND2' ' OE2' ' A' ' 157' ' ' GLU . 30.5 p30 -94.5 7.43 45.61 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 -178.36 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 40.95 38.57 1.71 Allowed Glycine 0 C--N 1.336 0.535 0 C-N-CA 121.096 -0.573 . . . . 0.0 112.969 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 30.2 p-10 -94.99 -7.37 39.98 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 111.644 0.239 . . . . 0.0 111.644 -179.466 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 87.75 6.83 75.89 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.452 -0.88 . . . . 0.0 113.431 179.167 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -135.06 135.19 41.08 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 117.507 0.654 . . . . 0.0 111.149 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.552 HD21 ' CG1' ' A' ' 145' ' ' VAL . 6.9 mt -100.62 101.56 12.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.12 178.708 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 12.6 p -87.57 169.96 11.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.157 0.503 . . . . 0.0 111.977 -178.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 155' ' ' LEU . . . . . 0.556 ' CD2' HG21 ' A' ' 108' ' ' VAL . 58.5 mt -48.61 -46.47 39.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.161 -179.775 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.78 -61.01 2.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.298 -179.716 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 157' ' ' GLU . . . . . 0.417 ' OE2' ' ND2' ' A' ' 148' ' ' ASN . 17.9 mt-10 -65.41 -14.91 61.94 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.948 -0.569 . . . . 0.0 112.362 -179.014 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . 0.818 HD13 ' CG1' ' A' ' 104' ' ' VAL . 0.4 OUTLIER -70.17 -66.88 0.54 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.941 0.4 . . . . 0.0 110.485 179.596 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.447 ' CB ' HD23 ' A' ' 100' ' ' LEU . 2.3 pp -50.24 -31.21 13.44 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.015 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 21.0 m -56.62 -61.62 2.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.009 0.433 . . . . 0.0 110.678 179.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 161' ' ' ALA . . . . . 0.875 ' HB2' HG13 ' A' ' 145' ' ' VAL . . . -61.2 -32.72 72.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.005 179.716 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 162' ' ' VAL . . . . . 0.796 HG13 HD13 ' A' ' 174' ' ' LEU . 74.8 t -51.19 -61.15 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.357 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -108.36 66.19 0.64 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.113 0.482 . . . . 0.0 110.704 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -115.29 -29.44 6.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.053 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 29.3 p90 -48.68 123.8 7.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.054 0.454 . . . . 0.0 111.641 -179.497 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 172.29 154.01 0.08 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.378 179.474 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 167' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 59.63 -84.68 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.528 179.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 168' ' ' GLY . . . . . 0.421 ' O ' ' HG2' ' A' ' 169' ' ' ARG . . . -105.44 -26.37 6.24 Favored Glycine 0 C--N 1.331 0.278 0 C-N-CA 120.645 -0.788 . . . . 0.0 113.053 -179.491 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 169' ' ' ARG . . . . . 0.421 ' HG2' ' O ' ' A' ' 168' ' ' GLY . 8.3 ptm180 46.55 -164.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.707 0.289 . . . . 0.0 111.097 -179.705 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 170' ' ' LEU . . . . . 0.417 ' CD1' ' NE2' ' A' ' 144' ' ' GLN . 0.0 OUTLIER -165.82 -82.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.991 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -169.81 49.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.468 -179.566 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 172' ' ' VAL . . . . . 0.582 HG13 ' OE1' ' A' ' 144' ' ' GLN . 0.0 OUTLIER -109.31 -89.53 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.311 179.692 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 173' ' ' GLU . . . . . 0.422 ' H ' HG23 ' A' ' 172' ' ' VAL . 1.4 tt0 62.04 -174.96 0.14 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.001 0.429 . . . . 0.0 111.543 179.703 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 174' ' ' LEU . . . . . 0.796 HD13 HG13 ' A' ' 162' ' ' VAL . 29.0 tp -110.35 -33.74 6.54 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.017 -179.801 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 175' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -89.21 16.45 7.29 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.561 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.44 -1.2 . . . . 0.0 112.557 179.994 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 500' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 501' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 502' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 3.1 m . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 120.759 0.314 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 28.2 m -123.04 -65.09 1.12 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.142 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -50.59 170.94 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.114 -179.636 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 15.7 mm -79.4 -34.24 15.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.457 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.433 ' HB2' ' HA ' ' A' ' 167' ' ' PHE . . . -62.12 -29.66 70.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.804 -179.429 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.7 m -61.3 -43.29 99.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.839 0.352 . . . . 0.0 111.224 -179.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.31 -45.86 89.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.555 -179.403 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.14 -43.62 98.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.475 -179.033 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 46.0 mt -77.41 -36.58 53.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.666 0.27 . . . . 0.0 111.452 -179.15 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.74 -57.46 12.92 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.786 0.326 . . . . 0.0 110.878 -179.797 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.413 ' O ' ' N ' ' A' ' 15' ' ' ARG . 5.8 mttt -56.25 -45.44 80.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.91 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.415 ' NH2' ' CZ2' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -47.63 -30.39 3.65 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.916 0.389 . . . . 0.0 111.011 179.896 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -74.11 -58.98 2.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.646 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -69.38 -14.38 62.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.155 179.571 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.413 ' N ' ' O ' ' A' ' 11' ' ' LYS . 0.2 OUTLIER -73.03 -21.94 60.72 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.601 0.239 . . . . 0.0 111.138 -179.626 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.415 ' CZ2' ' NH2' ' A' ' 12' ' ' ARG . 6.4 m0 -99.0 -93.84 0.25 Allowed 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 116.631 -0.258 . . . . 0.0 111.108 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 40.33 73.35 0.12 Allowed 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 121.013 0.435 . . . . 0.0 111.667 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.414 ' CE2' ' HB3' ' A' ' 31' ' ' LYS . 30.4 m-85 -54.24 -51.23 65.17 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.578 -179.309 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 25.8 p-10 -99.13 -13.25 19.87 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 -179.417 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.87 47.57 9.47 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.41 -0.9 . . . . 0.0 112.247 -179.539 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 41.6 p-10 -93.18 -9.63 38.62 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 111.785 0.291 . . . . 0.0 111.785 -179.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 80.0 21.07 66.33 Favored Glycine 0 C--N 1.331 0.303 0 C-N-CA 120.551 -0.833 . . . . 0.0 112.391 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -155.67 176.4 12.67 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 110.184 -0.302 . . . . 0.0 110.184 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -115.01 122.16 45.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.726 0.298 . . . . 0.0 110.532 179.683 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -121.48 172.48 8.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.004 0.43 . . . . 0.0 110.884 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.08 -34.25 76.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.878 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.1 -20.71 66.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.105 179.535 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -71.31 -32.9 69.17 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.908 0.385 . . . . 0.0 110.058 179.421 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 -77.15 -37.1 54.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.799 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -64.16 -40.04 95.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.458 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.414 ' HB3' ' CE2' ' A' ' 18' ' ' PHE . 12.5 mttt -66.53 -38.95 88.26 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.898 0.38 . . . . 0.0 110.11 179.481 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.421 ' O ' HG12 ' A' ' 36' ' ' ILE . 3.7 tp10 -49.86 -65.03 0.63 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.482 179.726 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -45.23 -47.7 12.7 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.013 0.435 . . . . 0.0 110.786 179.585 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -61.74 -54.64 39.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.056 179.193 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 37.9 t-80 -54.39 -41.79 69.66 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.436 179.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.421 HG12 ' O ' ' A' ' 32' ' ' GLU . 17.7 mm -66.08 -56.75 13.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 179.697 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.535 ' HB2' HG13 ' A' ' 49' ' ' VAL . . . -42.21 -42.27 2.98 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.905 0.383 . . . . 0.0 111.359 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -59.52 -38.78 81.86 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.111 179.536 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.14 -27.32 66.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.068 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -90.48 2.16 55.97 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.325 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 59.1 15.88 31.1 Favored Glycine 0 C--N 1.333 0.398 0 C-N-CA 120.865 -0.683 . . . . 0.0 113.118 179.41 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.86 92.99 6.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.855 0.359 . . . . 0.0 110.916 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.546 ' CB ' ' HB2' ' A' ' 46' ' ' ALA . 0.7 OUTLIER 38.64 -158.53 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.94 179.479 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -139.67 -57.44 0.57 Allowed 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 107.733 -1.21 . . . . 0.0 107.733 177.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -96.47 27.79 15.92 Favored Glycine 0 N--CA 1.451 -0.322 0 CA-C-N 114.628 -1.169 . . . . 0.0 111.829 178.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.546 ' HB2' ' CB ' ' A' ' 43' ' ' ASP . . . -69.89 -169.3 0.25 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.876 0.369 . . . . 0.0 111.244 179.747 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -80.83 -53.32 6.58 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.402 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -59.59 -27.43 66.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.833 -178.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.535 HG13 ' HB2' ' A' ' 37' ' ' ALA . 4.0 t -76.41 -43.27 36.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 179.555 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 33.8 tp60 -61.12 -42.2 98.1 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 178.388 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 54.1 m -59.82 -56.8 17.27 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.474 179.15 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.407 HD13 ' C ' ' A' ' 106' ' ' GLY . 40.1 tp -52.29 -58.44 6.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.322 -179.567 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -51.42 -39.97 58.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.752 0.31 . . . . 0.0 110.482 179.448 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 15.2 t30 -59.23 -41.33 88.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.829 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.89 -41.5 82.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.761 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -57.5 -29.8 64.59 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.764 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -65.97 -49.41 58.68 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.935 -0.65 . . . . 0.0 112.756 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.411 ' O ' ' HB2' ' A' ' 61' ' ' ASP . . . -58.76 -33.48 73.11 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.855 -179.705 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 27.1 tp -54.97 -36.24 65.15 Favored 'General case' 0 C--N 1.328 -0.368 0 O-C-N 122.669 -0.312 . . . . 0.0 110.85 -179.414 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.77 ' HA ' HD12 ' A' ' 63' ' ' LEU . 18.2 t80 -63.37 -43.56 97.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.986 179.769 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.411 ' HB2' ' O ' ' A' ' 58' ' ' GLY . 1.3 m-20 -43.55 -49.16 7.51 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.415 -179.763 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -57.22 -35.16 69.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.037 0.446 . . . . 0.0 110.569 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.77 HD12 ' HA ' ' A' ' 60' ' ' PHE . 27.5 mt -66.29 -54.86 19.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.033 179.755 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.417 ' O ' ' N ' ' A' ' 68' ' ' GLY . . . -56.05 -42.9 77.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.936 0.398 . . . . 0.0 111.142 -179.738 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.64 -57.95 6.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.267 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.83 -41.58 97.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.768 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -77.49 -25.65 50.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.984 0.421 . . . . 0.0 111.118 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 64' ' ' ALA . . . 80.19 53.77 4.05 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.873 -0.679 . . . . 0.0 113.634 178.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.449 ' CG1' ' HA3' ' A' ' 73' ' ' GLY . 92.4 t -111.38 -88.08 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.67 0.235 . . . . 0.0 111.268 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.551 ' O ' ' CB ' ' A' ' 71' ' ' SER . . . 177.04 -20.95 0.05 OUTLIER Glycine 0 CA--C 1.525 0.693 0 C-N-CA 119.681 -1.247 . . . . 0.0 114.607 -179.761 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.551 ' CB ' ' O ' ' A' ' 70' ' ' GLY . 21.7 m 110.57 -27.75 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 124.197 0.999 . . . . 0.0 109.915 -178.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -110.62 5.87 21.35 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.315 179.807 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.449 ' HA3' ' CG1' ' A' ' 69' ' ' VAL . . . -95.03 -156.02 31.78 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.225 -0.988 . . . . 0.0 112.599 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -143.26 155.75 44.57 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.041 0.448 . . . . 0.0 111.635 -179.229 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -115.31 136.92 52.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.251 179.422 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 2.2 p -84.33 171.88 12.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.996 -179.582 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -62.18 -49.07 77.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.74 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -58.21 -31.33 67.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.243 179.39 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -73.2 -42.04 63.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.279 179.135 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.459 ' CD1' ' OG1' ' A' ' 84' ' ' THR . 36.0 t80 -51.8 -56.08 16.05 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.782 179.364 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 37.4 mt -54.86 -49.33 70.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.583 -179.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 5.3 mtm-85 -58.78 -54.98 40.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.656 -179.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 50.8 t -71.33 -40.55 73.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 -179.18 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.459 ' OG1' ' CD1' ' A' ' 80' ' ' PHE . 68.7 m -60.2 -43.79 95.65 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.934 0.397 . . . . 0.0 110.007 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -47.27 -52.97 14.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.291 179.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -60.02 -36.42 77.22 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.441 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.87 -46.3 81.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.491 179.754 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.493 HG21 ' NE2' ' A' ' 166' ' ' HIS . 10.5 mt -74.54 -39.66 47.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.812 179.625 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -91.37 -82.37 0.3 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.229 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.35 -167.5 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.285 -179.603 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.466 ' HB3' ' CB ' ' A' ' 95' ' ' SER . 3.1 mt-30 75.25 -74.35 0.08 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.817 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 123.14 172.72 13.9 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.223 -0.989 . . . . 0.0 113.355 179.438 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -57.31 -57.79 11.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.035 0.445 . . . . 0.0 111.265 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -59.41 -14.62 12.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.742 -0.663 . . . . 0.0 112.577 -179.113 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.466 ' CB ' ' HB3' ' A' ' 91' ' ' GLN . 0.2 OUTLIER -77.5 -44.47 28.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.724 0.297 . . . . 0.0 111.013 -179.73 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.655 ' CE2' HD22 ' A' ' 100' ' ' LEU . 0.6 OUTLIER -70.8 -40.01 72.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.963 179.849 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.407 ' O ' ' N ' ' A' ' 101' ' ' GLY . 0.7 OUTLIER -68.6 -36.98 79.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.069 -0.514 . . . . 0.0 112.015 -179.37 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 3.4 ttp85 -64.54 -66.64 0.52 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.805 0.336 . . . . 0.0 111.73 -179.05 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 4.0 p -65.26 -39.38 85.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.155 -0.475 . . . . 0.0 112.274 -178.208 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.657 HD12 HG21 ' A' ' 103' ' ' VAL . 8.4 tp -88.48 -24.21 23.03 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 120.203 -0.599 . . . . 0.0 112.12 -177.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.487 ' N ' ' HD2' ' A' ' 102' ' ' PRO . . . -40.4 -53.46 3.47 Favored Glycine 0 CA--C 1.523 0.558 0 C-N-CA 120.902 -0.666 . . . . 0.0 112.947 179.502 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.487 ' HD2' ' N ' ' A' ' 101' ' ' GLY . 58.5 Cg_endo -71.43 -9.31 24.99 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.619 2.212 . . . . 0.0 112.478 179.458 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.657 HG21 HD12 ' A' ' 100' ' ' LEU . 86.1 t -80.98 -53.81 11.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.882 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.565 ' O ' HG23 ' A' ' 108' ' ' VAL . 45.5 t -69.01 -33.38 58.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.116 0.484 . . . . 0.0 110.612 179.632 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 17.3 mttt -58.76 -46.75 86.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.425 178.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . 0.407 ' C ' HD13 ' A' ' 52' ' ' LEU . . . -52.7 -36.96 50.32 Favored Glycine 0 N--CA 1.451 -0.301 0 CA-C-N 115.756 -0.656 . . . . 0.0 112.558 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.643 HG21 ' CZ2' ' A' ' 127' ' ' TRP . 26.3 mm -73.69 -40.49 54.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.909 0.385 . . . . 0.0 110.793 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.692 HG22 HD11 ' A' ' 119' ' ' ILE . 43.6 t -64.08 -36.59 77.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.298 179.717 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -60.93 -40.71 98.77 Favored Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.869 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 5.1 ptp -78.67 -23.99 45.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.616 0.245 . . . . 0.0 111.307 -179.307 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 26.1 t -98.99 -21.74 16.09 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 113.157 0.799 . . . . 0.0 113.157 -178.071 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -63.52 104.53 0.65 Allowed 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.377 -0.529 . . . . 0.0 111.395 -178.417 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.79 -20.44 27.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.745 -0.662 . . . . 0.0 110.816 179.107 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 21.1 p-10 -108.65 7.84 26.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.496 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . 42.03 57.32 3.26 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.68 0.276 . . . . 0.0 111.509 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 24.4 p-10 -116.31 -11.06 11.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.721 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 77.85 11.43 85.42 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.906 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -123.51 166.27 15.7 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.941 0.401 . . . . 0.0 111.289 -179.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.736 HG13 HD11 ' A' ' 158' ' ' LEU . 47.7 mm -109.44 100.31 10.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.331 -179.337 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . 0.423 ' O ' ' N ' ' A' ' 123' ' ' GLU . 1.0 OUTLIER -85.17 158.79 20.28 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 178.853 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.447 ' HA ' ' CD1' ' A' ' 142' ' ' PHE . . . -48.77 -35.88 15.26 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.83 -0.348 . . . . 0.0 111.1 -179.075 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.5 -29.14 65.58 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 178.734 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.423 ' N ' ' O ' ' A' ' 120' ' ' ASN . 25.9 mt-10 -79.61 -48.98 12.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.31 -0.404 . . . . 0.0 109.994 178.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . 0.611 ' CE2' HD11 ' A' ' 128' ' ' LEU . 20.7 t80 -57.14 -50.89 71.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.352 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.432 ' HA ' ' HB1' ' A' ' 138' ' ' ALA . . . -53.67 -45.93 70.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.16 -179.459 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -55.2 -33.75 63.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.615 -179.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' TRP . . . . . 0.643 ' CZ2' HG21 ' A' ' 107' ' ' ILE . 8.2 t90 -83.83 -45.01 13.74 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 112.356 0.502 . . . . 0.0 112.356 -178.568 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.611 HD11 ' CE2' ' A' ' 124' ' ' PHE . 12.1 mt -59.08 -41.36 87.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.791 0.329 . . . . 0.0 111.062 -179.205 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -71.36 -26.54 62.85 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.239 178.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.96 -36.54 83.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.762 -0.653 . . . . 0.0 111.177 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 11.6 mt -84.85 3.45 37.82 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.364 0.505 . . . . 0.0 112.364 -178.362 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 104.72 24.31 7.42 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.094 -1.05 . . . . 0.0 113.633 178.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' MET . . . . . 0.419 ' CG ' ' O ' ' A' ' 128' ' ' LEU . 3.2 mmt -99.48 155.13 17.72 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 117.04 0.42 . . . . 0.0 110.165 179.339 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -82.78 163.7 21.08 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.754 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -66.76 -22.15 66.05 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.723 -179.322 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -80.29 -26.72 38.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.427 -0.352 . . . . 0.0 111.142 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -73.54 -38.63 65.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.345 -179.584 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . 0.55 ' HA ' HD12 ' A' ' 128' ' ' LEU . . . -60.45 -59.24 5.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.833 0.349 . . . . 0.0 110.959 -179.792 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -47.04 -43.65 20.01 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.172 179.672 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.02 -49.02 55.56 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.653 -179.477 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . 0.545 ' O ' HG23 ' A' ' 145' ' ' VAL . . . -62.78 -36.61 83.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.653 -179.139 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' PHE . . . . . 0.447 ' CD1' ' HA ' ' A' ' 121' ' ' ALA . 73.4 t80 -54.75 -59.23 5.01 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.803 179.513 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -57.51 -34.45 69.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.555 -0.748 . . . . 0.0 112.964 -179.19 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -67.61 -32.86 73.87 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 112.196 0.443 . . . . 0.0 112.196 -178.389 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 0.726 HG13 ' HB2' ' A' ' 161' ' ' ALA . 16.5 t -83.39 -29.49 7.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 112.205 0.446 . . . . 0.0 112.205 -178.677 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -62.35 78.16 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.163 0.506 . . . . 0.0 111.274 -179.09 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . 0.45 ' N ' ' O ' ' A' ' 145' ' ' VAL . 47.3 m -56.13 -33.26 64.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.514 -0.766 . . . . 0.0 112.529 179.746 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' ASN . . . . . 0.42 ' ND2' ' OE2' ' A' ' 157' ' ' GLU . 29.0 p30 -98.2 7.12 46.72 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.498 0.555 . . . . 0.0 112.498 -178.449 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 39.72 38.19 1.05 Allowed Glycine 0 C--N 1.335 0.501 0 C-N-CA 121.067 -0.587 . . . . 0.0 113.511 179.585 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 43.9 p-10 -95.55 -5.15 43.36 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.581 0.229 . . . . 0.0 111.583 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 91.26 1.97 71.48 Favored Glycine 0 C--N 1.333 0.409 0 C-N-CA 120.633 -0.794 . . . . 0.0 113.669 178.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -132.97 135.08 45.29 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 117.517 0.659 . . . . 0.0 111.145 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 21.0 mt -95.86 102.34 14.12 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.024 178.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 50.5 m -86.86 161.12 18.48 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.117 0.484 . . . . 0.0 111.54 -179.024 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 155' ' ' LEU . . . . . 0.411 ' O ' ' HG ' ' A' ' 159' ' ' LEU . 1.5 tt -48.34 -44.09 33.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.235 -179.791 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -55.7 -60.36 3.55 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.537 -179.459 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 157' ' ' GLU . . . . . 0.42 ' OE2' ' ND2' ' A' ' 148' ' ' ASN . 31.9 mt-10 -63.0 -17.39 62.15 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.908 -0.587 . . . . 0.0 112.377 -178.666 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . 0.736 HD11 HG13 ' A' ' 119' ' ' ILE . 4.4 mt -71.92 -48.73 43.4 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.758 0.313 . . . . 0.0 110.341 179.208 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.476 ' CD2' HG21 ' A' ' 104' ' ' VAL . 0.9 OUTLIER -65.9 -43.2 88.94 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.048 -179.768 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -52.2 -57.06 10.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.841 -179.758 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 161' ' ' ALA . . . . . 0.726 ' HB2' HG13 ' A' ' 145' ' ' VAL . . . -56.02 -60.87 2.86 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.922 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 162' ' ' VAL . . . . . 0.482 HG12 ' O ' ' A' ' 158' ' ' LEU . 9.7 p -53.34 -39.32 35.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.781 0.324 . . . . 0.0 111.164 179.796 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 163' ' ' ARG . . . . . 0.448 ' HD3' ' CG ' ' A' ' 96' ' ' PHE . 68.6 ttp85 -82.05 56.29 3.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.864 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -179.85 58.06 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.891 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 165' ' ' PHE . . . . . 0.455 ' HA ' ' HB2' ' A' ' 169' ' ' ARG . 17.5 p90 -122.51 -33.34 3.45 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.991 -0.284 . . . . 0.0 111.764 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . 0.493 ' NE2' HG21 ' A' ' 88' ' ' ILE . 0.3 OUTLIER -52.97 -179.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.951 -0.3 . . . . 0.0 110.566 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 167' ' ' PHE . . . . . 0.433 ' HA ' ' HB2' ' A' ' 5' ' ' ALA . 11.5 m-85 56.27 20.17 4.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.117 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . 73.76 101.56 0.08 OUTLIER Glycine 0 C--N 1.332 0.346 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.109 -179.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 169' ' ' ARG . . . . . 0.5 ' HB3' HD23 ' A' ' 170' ' ' LEU . 3.3 mmp_? -126.48 -87.8 0.58 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.613 0.244 . . . . 0.0 111.404 -179.577 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 170' ' ' LEU . . . . . 0.5 HD23 ' HB3' ' A' ' 169' ' ' ARG . 1.3 pt? -175.74 -156.9 0.05 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.629 -0.26 . . . . 0.0 110.767 -179.684 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -90.8 60.21 4.38 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.863 0.363 . . . . 0.0 111.451 -179.586 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 172' ' ' VAL . . . . . 0.702 HG22 ' N ' ' A' ' 173' ' ' GLU . 0.5 OUTLIER -97.3 -93.88 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.494 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.074 179.271 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 173' ' ' GLU . . . . . 0.702 ' N ' HG22 ' A' ' 172' ' ' VAL . 3.8 pm0 40.31 -159.91 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 179.366 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 174' ' ' LEU . . . . . 0.468 HD23 ' N ' ' A' ' 175' ' ' LEU . 0.6 OUTLIER -157.3 -53.75 0.08 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.805 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 175' ' ' LEU . . . . . 0.468 ' N ' HD23 ' A' ' 174' ' ' LEU . 1.4 mt -58.03 170.79 0.6 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.973 -179.768 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.373 -1.237 . . . . 0.0 112.5 179.979 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 500' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 501' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 502' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 3.4 t . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.804 0.335 . . . . 0.0 111.194 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -163.95 -54.49 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.275 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -71.06 -6.62 40.47 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.103 0.409 . . . . 0.0 112.103 -179.601 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 40.1 mt -78.18 -36.82 21.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 120.823 0.344 . . . . 0.0 111.242 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.522 ' HB1' ' CE1' ' A' ' 166' ' ' HIS . . . -61.46 -28.05 69.0 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.511 -179.477 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.01 -56.25 23.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.834 0.35 . . . . 0.0 110.671 179.792 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.11 -45.43 61.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.062 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.56 -48.16 82.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.344 -179.138 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.562 HD13 HG23 ' A' ' 81' ' ' ILE . 8.9 mt -75.96 -33.26 59.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.783 0.325 . . . . 0.0 111.1 -179.297 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.13 -63.76 1.19 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.734 -179.808 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' A' ' 15' ' ' ARG . 0.8 OUTLIER -50.56 -43.06 56.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.498 179.652 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.23 -34.85 3.0 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.115 179.566 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 14.3 t80 -73.2 -53.96 9.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.565 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -70.92 -15.5 62.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.234 179.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.438 ' N ' ' O ' ' A' ' 11' ' ' LYS . 52.9 ttt-85 -75.53 -23.48 56.68 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 111.776 0.287 . . . . 0.0 111.776 -179.323 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.469 ' CH2' ' HG3' ' A' ' 32' ' ' GLU . 10.9 m95 -99.3 -96.53 0.24 Allowed 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 121.204 -0.198 . . . . 0.0 111.216 -179.693 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 41.05 73.08 0.13 Allowed 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.041 0.448 . . . . 0.0 111.432 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.414 ' HB2' ' OD1' ' A' ' 28' ' ' ASP . 0.4 OUTLIER -54.85 -49.08 71.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.585 -178.849 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 33.0 p30 -98.04 -13.15 21.2 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 111.885 0.328 . . . . 0.0 111.885 -179.614 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.54 45.23 14.18 Favored Glycine 0 C--N 1.331 0.267 0 C-N-CA 120.498 -0.858 . . . . 0.0 112.624 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.755 ' ND2' ' HB3' ' A' ' 23' ' ' ALA . 14.6 p-10 -92.79 -8.63 43.12 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 111.814 0.301 . . . . 0.0 111.814 -179.568 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 78.69 20.45 71.15 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.38 -0.915 . . . . 0.0 111.921 -179.335 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.755 ' HB3' ' ND2' ' A' ' 21' ' ' ASN . . . -153.47 168.68 25.31 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.973 -0.381 . . . . 0.0 109.973 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -106.91 116.79 32.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.824 0.345 . . . . 0.0 110.768 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.413 ' HG2' ' HB3' ' A' ' 74' ' ' SER . 8.5 mt-10 -120.01 169.35 10.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.846 -179.703 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.0 ttt180 -69.89 -42.17 73.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.39 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.33 -23.49 15.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.816 179.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.414 ' OD1' ' HB2' ' A' ' 18' ' ' PHE . 22.1 m-20 -72.91 -28.81 62.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.192 179.378 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -75.74 -39.64 56.87 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.833 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -62.36 -37.4 85.56 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.154 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 19.1 mttt -68.22 -40.49 82.06 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.891 0.377 . . . . 0.0 110.233 179.147 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.469 ' HG3' ' CH2' ' A' ' 16' ' ' TRP . 75.6 tt0 -52.43 -67.45 0.25 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.237 179.66 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -44.0 -47.28 8.63 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.994 0.426 . . . . 0.0 111.033 179.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.419 ' HG2' ' HB1' ' A' ' 44' ' ' ALA . 23.8 mt-30 -62.68 -51.57 66.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.165 179.39 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -56.15 -25.65 47.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.674 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 20.6 mt -82.28 -54.3 9.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.849 179.659 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -44.53 -39.84 5.2 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 120.921 0.391 . . . . 0.0 111.053 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -60.55 -39.16 86.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.435 179.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -56.56 -21.77 28.75 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.693 0.282 . . . . 0.0 110.712 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -93.99 0.47 56.03 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.422 179.594 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 50.72 79.1 0.08 OUTLIER Glycine 0 C--N 1.333 0.396 0 C-N-CA 120.874 -0.679 . . . . 0.0 113.037 179.615 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 23.3 mtmt -149.81 -96.12 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 110.414 -0.217 . . . . 0.0 110.414 179.098 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -169.84 125.07 0.81 Allowed 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.907 0.384 . . . . 0.0 111.648 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.59 ' O ' HG11 ' A' ' 49' ' ' VAL . . . -67.6 -6.92 22.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.836 179.741 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -102.24 15.6 56.18 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.501 -0.857 . . . . 0.0 113.326 -179.417 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.71 -166.49 0.15 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.964 0.411 . . . . 0.0 111.003 179.543 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -93.23 -46.65 7.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.327 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -62.5 -21.53 65.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.319 -179.684 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.59 HG11 ' O ' ' A' ' 44' ' ' ALA . 11.2 p -76.1 -47.38 31.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.085 179.454 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.538 ' N ' HG13 ' A' ' 49' ' ' VAL . 18.2 tt0 -60.89 -42.5 98.09 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 178.691 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 18.1 m -58.24 -56.22 24.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.075 179.186 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 18.1 tp -51.57 -59.26 4.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.277 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.6 mtpm? -51.08 -42.5 60.63 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.534 0.207 . . . . 0.0 110.649 179.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -57.26 -42.1 80.92 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 179.355 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.82 -41.72 82.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.673 179.224 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -61.35 -30.87 70.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.502 179.603 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -64.86 -50.93 55.8 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.387 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -57.06 -31.16 61.38 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.644 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 9.0 tp -59.1 -40.09 84.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.583 0.23 . . . . 0.0 110.883 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.489 ' HA ' HD12 ' A' ' 63' ' ' LEU . 42.6 t80 -59.37 -44.54 92.72 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 179.587 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -41.67 -47.44 3.96 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.981 0.419 . . . . 0.0 111.085 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.478 ' HE2' HD21 ' A' ' 87' ' ' LEU . 17.8 t80 -59.94 -36.62 77.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.931 179.58 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.489 HD12 ' HA ' ' A' ' 60' ' ' PHE . 58.8 mt -66.67 -55.89 13.12 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.103 -179.73 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.842 ' HB1' ' O ' ' A' ' 69' ' ' VAL . . . -55.04 -49.26 72.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.332 -0.395 . . . . 0.0 112.024 179.744 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.6 -50.37 69.65 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.802 0.334 . . . . 0.0 111.01 -179.499 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -63.33 -41.01 98.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.974 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -78.34 -26.19 46.69 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.904 0.383 . . . . 0.0 111.393 -179.511 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 102.51 1.55 50.2 Favored Glycine 0 CA--C 1.52 0.377 0 C-N-CA 120.595 -0.812 . . . . 0.0 113.94 179.163 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.842 ' O ' ' HB1' ' A' ' 64' ' ' ALA . 35.5 m -102.75 171.57 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.997 0.399 . . . . 0.0 110.624 179.71 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -86.88 178.51 48.45 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 121.013 -0.613 . . . . 0.0 114.087 -178.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.2 t -64.95 -14.74 60.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.21 -0.495 . . . . 0.0 111.13 178.399 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -109.35 14.09 23.87 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.722 -0.217 . . . . 0.0 111.336 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -95.4 -165.08 34.84 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.426 -0.892 . . . . 0.0 112.92 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.474 ' HB2' ' HB1' ' A' ' 23' ' ' ALA . 0.1 OUTLIER -141.68 155.06 45.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.867 0.365 . . . . 0.0 111.29 -179.552 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.45 HD21 ' HB3' ' A' ' 63' ' ' LEU . 1.5 mp -114.32 141.94 46.95 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.778 179.727 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 5.3 p -88.57 162.52 16.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.093 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.454 ' O ' HD12 ' A' ' 81' ' ' ILE . 36.7 tt0 -56.12 -48.4 76.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.963 179.68 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.43 -31.08 68.95 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.862 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.56 ' O ' HG23 ' A' ' 83' ' ' VAL . 16.6 mm-40 -74.26 -40.99 61.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.066 0.46 . . . . 0.0 110.106 179.117 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.588 ' O ' HG23 ' A' ' 84' ' ' THR . 39.5 t80 -53.8 -54.99 30.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.835 179.175 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.562 HG23 HD13 ' A' ' 9' ' ' LEU . 3.9 mt -53.79 -51.14 47.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.695 -179.581 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 31.3 mmt180 -58.15 -48.81 79.11 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.393 -179.559 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 79' ' ' GLN . 21.5 t -73.04 -42.46 59.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 N-CA-C 112.259 0.466 . . . . 0.0 112.259 -179.317 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.588 HG23 ' O ' ' A' ' 80' ' ' PHE . 33.4 p -59.0 -44.08 91.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.94 0.4 . . . . 0.0 110.577 -179.572 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -52.16 -47.63 65.36 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.245 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.415 ' HA ' ' HB2' ' A' ' 90' ' ' GLU . 4.7 m120 -59.94 -39.99 87.41 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.604 -179.728 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.478 HD21 ' HE2' ' A' ' 62' ' ' TYR . 0.7 OUTLIER -57.42 -50.12 74.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.477 -179.796 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 4.4 mt -71.62 -47.43 57.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.591 -179.516 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -89.2 -76.07 0.42 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.399 -179.46 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.415 ' HB2' ' HA ' ' A' ' 86' ' ' ASN . 0.6 OUTLIER -57.65 -161.49 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.83 0.347 . . . . 0.0 110.85 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 11.2 mm-40 63.25 143.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.022 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -77.51 165.74 53.01 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.691 179.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -56.56 -56.65 18.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.944 0.402 . . . . 0.0 110.947 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.93 -12.27 10.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.788 -0.642 . . . . 0.0 112.482 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.76 -47.47 30.92 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.805 0.336 . . . . 0.0 110.327 179.71 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.632 ' CE1' HD22 ' A' ' 100' ' ' LEU . 0.1 OUTLIER -67.8 -44.42 77.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.96 179.736 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 15.1 m120 -68.11 -36.14 79.28 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.041 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 43.8 ttp85 -62.29 -66.08 0.59 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.684 -179.416 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 16.7 t -72.01 -34.4 50.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 112.917 0.71 . . . . 0.0 112.917 -178.149 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.632 HD22 ' CE1' ' A' ' 96' ' ' PHE . 3.2 tp -87.56 -28.07 22.19 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 119.673 -0.811 . . . . 0.0 111.858 -177.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.473 ' N ' ' HD2' ' A' ' 102' ' ' PRO . . . -41.57 -54.26 4.13 Favored Glycine 0 CA--C 1.523 0.554 0 C-N-CA 120.869 -0.681 . . . . 0.0 112.74 179.524 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.473 ' HD2' ' N ' ' A' ' 101' ' ' GLY . 57.0 Cg_endo -70.84 -15.15 33.05 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.644 2.229 . . . . 0.0 112.308 179.614 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 41.8 t -79.38 -52.82 14.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.944 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.931 ' O ' HG23 ' A' ' 108' ' ' VAL . 26.9 t -67.15 -28.57 43.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.121 0.486 . . . . 0.0 110.403 179.341 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 8.6 mttt -57.84 -48.18 80.5 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.356 178.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -52.33 -44.57 58.32 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.3 179.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 4.9 mt -72.87 -32.25 39.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.83 0.348 . . . . 0.0 110.569 179.635 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.931 HG23 ' O ' ' A' ' 104' ' ' VAL . 84.4 t -59.27 -42.01 85.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 179.132 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -75.66 57.36 2.99 Favored Glycine 0 CA--C 1.522 0.473 0 C-N-CA 121.021 -0.609 . . . . 0.0 112.159 178.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 22.3 mtp -159.05 -39.56 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.311 -0.444 . . . . 0.0 111.287 -179.581 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 2.7 m -92.35 43.21 1.12 Allowed 'General case' 0 CA--C 1.52 -0.186 0 CA-C-O 121.248 0.547 . . . . 0.0 111.625 -178.392 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . 0.42 ' OD1' ' N ' ' A' ' 115' ' ' ALA . 13.2 t70 -168.0 109.17 0.57 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.515 -179.578 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 9.1 mtmt -95.93 11.12 34.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.084 178.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -105.12 -19.66 13.75 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-O 120.8 0.333 . . . . 0.0 110.765 179.548 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.42 ' N ' ' OD1' ' A' ' 112' ' ' ASP . . . 62.43 67.63 0.71 Allowed 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 179.312 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 25.8 p-10 -121.12 -11.21 8.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.389 179.237 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 84.5 2.62 88.88 Favored Glycine 0 CA--C 1.521 0.424 0 C-N-CA 120.586 -0.816 . . . . 0.0 113.406 179.412 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 12.0 mm-40 -124.85 165.56 17.82 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 117.323 0.562 . . . . 0.0 111.638 -179.389 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.754 HG13 HD11 ' A' ' 158' ' ' LEU . 25.6 mm -113.01 100.98 11.83 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.75 -179.138 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . 0.424 ' O ' ' N ' ' A' ' 123' ' ' GLU . 0.6 OUTLIER -86.01 160.04 19.44 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.686 -0.406 . . . . 0.0 110.042 179.345 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -48.4 -38.8 20.48 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.669 0.271 . . . . 0.0 111.282 -178.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -69.67 -27.52 65.1 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 179.111 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 120' ' ' ASN . 3.8 mt-10 -82.35 -46.71 13.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.25 -0.432 . . . . 0.0 109.892 178.739 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -56.57 -48.39 77.46 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.914 0.388 . . . . 0.0 110.847 179.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.494 ' O ' HG23 ' A' ' 129' ' ' THR . . . -54.92 -45.25 74.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.795 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -54.93 -34.43 63.16 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.657 -179.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' TRP . . . . . 0.666 ' NE1' HD11 ' A' ' 131' ' ' LEU . 18.1 t90 -81.21 -39.85 24.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.784 0.326 . . . . 0.0 111.68 -179.005 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.606 HD13 ' HA ' ' A' ' 138' ' ' ALA . 0.2 OUTLIER -62.08 -44.1 97.39 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.399 -179.601 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . 0.494 HG23 ' O ' ' A' ' 125' ' ' ALA . 18.1 p -73.45 -25.84 60.67 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.933 179.799 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -65.2 -37.74 88.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.051 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.666 HD11 ' NE1' ' A' ' 127' ' ' TRP . 3.4 mt -85.96 -6.4 59.06 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 112.237 0.458 . . . . 0.0 112.237 -178.349 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 114.11 24.21 4.6 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 119.938 -1.125 . . . . 0.0 114.069 178.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' MET . . . . . 0.421 ' O ' ' HA ' ' A' ' 129' ' ' THR . 2.3 mmt -100.93 154.48 18.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 117.263 0.532 . . . . 0.0 110.107 179.164 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 3.2 m -83.38 154.74 23.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.748 0.309 . . . . 0.0 110.595 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -59.79 -20.77 58.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.699 -179.396 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -80.26 -28.39 38.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.848 179.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -73.18 -39.0 65.97 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.074 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . 0.606 ' HA ' HD13 ' A' ' 128' ' ' LEU . . . -58.9 -56.79 17.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.97 0.414 . . . . 0.0 110.416 179.722 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -49.56 -43.65 46.14 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.988 179.363 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -70.66 -48.09 56.6 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.658 -179.671 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . 0.433 ' O ' HG23 ' A' ' 145' ' ' VAL . . . -63.32 -41.78 98.94 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.828 -179.222 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 62.3 t80 -51.28 -58.28 6.61 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.68 179.436 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -57.21 -34.5 68.59 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.739 -0.664 . . . . 0.0 112.19 -179.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' GLN . . . . . 0.427 ' NE2' ' HA ' ' A' ' 141' ' ' ALA . 5.7 mt-30 -66.12 -37.18 85.08 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 -178.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 0.464 ' O ' ' N ' ' A' ' 147' ' ' THR . 21.3 t -84.01 -31.67 8.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 112.616 0.599 . . . . 0.0 112.616 -177.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.9 78.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.216 0.532 . . . . 0.0 110.936 -179.481 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . 0.464 ' N ' ' O ' ' A' ' 145' ' ' VAL . 0.1 OUTLIER -56.9 -30.2 63.72 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.444 -0.798 . . . . 0.0 112.184 179.652 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' ASN . . . . . 0.4 ' ND2' ' OE2' ' A' ' 157' ' ' GLU . 46.9 p30 -99.57 5.92 45.89 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.488 0.551 . . . . 0.0 112.488 -178.513 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 41.02 41.75 2.77 Favored Glycine 0 C--N 1.336 0.536 0 C-N-CA 120.918 -0.658 . . . . 0.0 113.127 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 31.4 p-10 -96.47 -7.74 34.01 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 111.737 0.273 . . . . 0.0 111.737 -179.433 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 87.75 5.08 78.53 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.499 -0.858 . . . . 0.0 113.432 179.223 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -134.7 136.73 42.96 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 117.25 0.525 . . . . 0.0 111.401 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.448 ' CB ' ' HB ' ' A' ' 119' ' ' ILE . 9.8 mt -99.84 102.48 13.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.1 178.751 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 14.0 m -90.49 168.43 11.84 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.922 0.392 . . . . 0.0 111.471 -179.137 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 155' ' ' LEU . . . . . 0.703 HD12 HG21 ' A' ' 108' ' ' VAL . 5.6 tp -50.77 -45.63 59.13 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.677 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -56.66 -61.03 2.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.111 0.482 . . . . 0.0 110.106 179.501 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 157' ' ' GLU . . . . . 0.4 ' OE2' ' ND2' ' A' ' 148' ' ' ASN . 36.2 mt-10 -65.11 -13.28 57.69 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.655 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . 0.754 HD11 HG13 ' A' ' 119' ' ' ILE . 0.2 OUTLIER -70.47 -42.32 71.6 Favored 'General case' 0 N--CA 1.457 -0.099 0 CA-C-O 120.954 0.407 . . . . 0.0 110.016 179.183 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.57 HD22 HG21 ' A' ' 104' ' ' VAL . 0.4 OUTLIER -71.05 -32.7 69.48 Favored 'General case' 0 CA--C 1.52 -0.177 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.039 179.337 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 24.1 m -51.64 -25.9 7.98 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.363 179.575 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 161' ' ' ALA . . . . . 0.603 ' HB1' ' CG2' ' A' ' 172' ' ' VAL . . . -66.64 -43.97 83.2 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.887 179.003 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 162' ' ' VAL . . . . . 0.53 HG22 HD13 ' A' ' 174' ' ' LEU . 6.9 t -53.88 -44.65 61.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.758 -179.64 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 11.1 ptp180 -78.93 66.64 4.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.04 -0.527 . . . . 0.0 112.046 -178.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -179.77 36.31 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.884 0.373 . . . . 0.0 111.136 179.097 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 5.7 p90 -122.45 -38.36 2.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.715 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . 0.522 ' CE1' ' HB1' ' A' ' 5' ' ' ALA . 37.9 t60 -52.47 -55.52 21.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.865 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 167' ' ' PHE . . . . . 0.481 ' O ' ' CD1' ' A' ' 167' ' ' PHE . 31.6 p90 -100.44 118.74 37.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.027 0.441 . . . . 0.0 110.903 179.763 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . 45.59 66.23 1.66 Allowed Glycine 0 CA--C 1.519 0.304 0 C-N-CA 121.062 -0.59 . . . . 0.0 113.124 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 169' ' ' ARG . . . . . . . . . . . . . 2.6 ptm180 -58.58 129.53 42.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.635 0.255 . . . . 0.0 110.699 179.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -84.51 -87.4 0.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.553 179.78 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 20.6 p-10 -171.73 61.14 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.75 0.31 . . . . 0.0 111.329 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 172' ' ' VAL . . . . . 0.603 ' CG2' ' HB1' ' A' ' 161' ' ' ALA . 7.5 p -139.16 -50.53 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.297 179.73 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 173' ' ' GLU . . . . . 0.508 ' N ' HG13 ' A' ' 172' ' ' VAL . 0.1 OUTLIER 42.87 -162.16 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.963 0.411 . . . . 0.0 111.757 179.553 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 174' ' ' LEU . . . . . 0.53 HD13 HG22 ' A' ' 162' ' ' VAL . 1.8 tp -160.0 -43.13 0.05 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.747 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 175' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -81.04 56.85 2.92 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.058 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.371 -1.238 . . . . 0.0 112.493 179.895 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 500' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 501' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 502' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 9.4 t . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.799 0.333 . . . . 0.0 111.132 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.473 ' O ' ' HB3' ' A' ' 3' ' ' ALA . 1.0 OUTLIER -62.19 146.31 51.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.808 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.473 ' HB3' ' O ' ' A' ' 2' ' ' THR . . . 68.88 112.24 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.334 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 3.4 mt -79.82 -26.79 12.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.005 179.356 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.532 ' HB2' ' CD2' ' A' ' 167' ' ' PHE . . . -63.92 -39.27 93.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.87 -179.463 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 m -59.71 -47.71 84.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.845 0.355 . . . . 0.0 111.093 -179.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -56.76 -50.34 72.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.483 -179.533 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.418 ' HB3' ' CZ ' ' A' ' 165' ' ' PHE . 0.4 OUTLIER -63.42 -46.27 87.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.612 -179.085 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.783 HD13 HG23 ' A' ' 81' ' ' ILE . 9.7 mt -75.35 -36.19 61.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.791 0.329 . . . . 0.0 111.28 -178.788 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.2 -45.94 89.75 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.757 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.417 ' O ' ' N ' ' A' ' 15' ' ' ARG . 1.5 mmpt? -66.86 -44.85 79.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.5 mmt180 -47.79 -33.84 7.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.21 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -73.95 -61.63 1.78 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.409 -179.64 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.09 -15.08 63.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.143 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.417 ' N ' ' O ' ' A' ' 11' ' ' LYS . 14.4 ttt85 -74.2 -17.04 60.95 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 111.651 0.241 . . . . 0.0 111.651 -179.374 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 53.1 m95 -109.0 -96.73 0.39 Allowed 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.848 -0.341 . . . . 0.0 111.798 -179.362 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 43.8 82.87 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 121.003 0.43 . . . . 0.0 110.864 -179.267 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.482 ' CZ ' ' HB3' ' A' ' 31' ' ' LYS . 0.2 OUTLIER -55.47 -52.68 62.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.822 -0.626 . . . . 0.0 112.076 -178.712 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.419 ' OD1' ' N ' ' A' ' 19' ' ' ASP . 20.4 p-10 -97.55 -12.61 22.35 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 111.805 0.298 . . . . 0.0 111.805 -179.296 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.26 44.06 18.78 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.497 -0.859 . . . . 0.0 112.366 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -92.29 -8.8 44.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.728 0.264 . . . . 0.0 111.562 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 82.58 20.16 62.46 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.577 -0.82 . . . . 0.0 112.425 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -155.27 177.72 11.03 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.579 0.228 . . . . 0.0 110.599 179.683 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -115.22 118.28 32.87 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.822 0.344 . . . . 0.0 110.492 179.782 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -115.11 171.06 7.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.097 0.475 . . . . 0.0 110.611 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.4 ' HA ' ' CD1' ' A' ' 60' ' ' PHE . 23.7 ttp180 -69.15 -34.17 74.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.932 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.63 -18.23 64.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.235 179.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -70.76 -29.63 65.9 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.788 0.327 . . . . 0.0 110.203 179.491 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -76.82 -39.31 51.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.265 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.38 -44.76 93.82 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.493 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.482 ' HB3' ' CZ ' ' A' ' 18' ' ' PHE . 5.4 mttt -64.7 -42.11 95.53 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.938 0.399 . . . . 0.0 110.015 179.468 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -53.4 -59.46 4.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.031 179.366 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.596 ' HA ' HD12 ' A' ' 36' ' ' ILE . . . -47.23 -49.15 23.74 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.007 0.432 . . . . 0.0 110.915 179.412 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.55 -47.86 84.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.069 179.493 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 4.4 t-80 -56.43 -22.91 34.96 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.648 179.532 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.596 HD12 ' HA ' ' A' ' 33' ' ' ALA . 58.2 mt -82.95 -55.7 6.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.141 179.718 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -44.29 -42.56 6.78 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-O 120.847 0.356 . . . . 0.0 111.255 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.11 -39.15 91.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.214 179.517 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.08 -30.77 71.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.064 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.427 ' CE2' ' HB3' ' A' ' 111' ' ' CYS . 0.1 OUTLIER -89.69 3.82 51.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.482 -179.745 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 52.92 65.49 3.33 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.458 -0.877 . . . . 0.0 112.487 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -147.63 91.48 1.96 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.814 0.34 . . . . 0.0 110.358 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.44 ' CB ' ' HB2' ' A' ' 46' ' ' ALA . 0.2 OUTLIER 39.43 -160.75 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.863 179.768 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -140.06 -58.26 0.55 Allowed 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 177.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -96.09 24.27 30.8 Favored Glycine 0 N--CA 1.453 -0.21 0 CA-C-N 114.73 -1.123 . . . . 0.0 112.254 179.496 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.44 ' HB2' ' CB ' ' A' ' 43' ' ' ASP . . . -68.77 -173.59 0.48 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 117.151 0.476 . . . . 0.0 110.815 179.465 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -76.6 -51.38 11.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.046 0.451 . . . . 0.0 110.431 179.321 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.4 ' HB2' ' HG2' ' A' ' 110' ' ' MET . 16.8 pt-20 -50.46 -39.07 46.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.801 -0.636 . . . . 0.0 112.312 -178.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 17.9 t -75.79 -37.98 36.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 C-N-CA 120.965 -0.294 . . . . 0.0 111.218 -179.097 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 17.8 tt0 -60.2 -42.58 95.42 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 178.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 24.9 m -57.03 -57.52 12.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.294 179.444 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.523 HD13 HG13 ' A' ' 107' ' ' ILE . 38.3 tp -50.56 -57.25 8.59 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.994 -0.282 . . . . 0.0 110.241 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 26.5 mtpp -50.42 -41.51 52.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.677 0.275 . . . . 0.0 110.484 179.294 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -58.69 -43.48 90.03 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 179.362 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.43 ' CB ' ' O ' ' A' ' 102' ' ' PRO . . . -67.58 -50.88 56.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.729 179.334 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.465 ' CD2' ' HB2' ' A' ' 33' ' ' ALA . 0.7 OUTLIER -51.26 -30.67 18.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.533 179.722 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -62.25 -50.51 64.34 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.173 179.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -64.31 -27.8 72.12 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.016 179.675 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 22.7 tp -57.11 -45.0 83.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.776 0.322 . . . . 0.0 110.461 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.408 ' O ' ' HB2' ' A' ' 63' ' ' LEU . 53.8 t80 -62.2 -39.94 94.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.949 0.404 . . . . 0.0 109.981 179.097 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -42.18 -48.16 4.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.486 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.67 ' HB2' HG21 ' A' ' 99' ' ' VAL . 73.9 t80 -58.18 -37.47 74.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.118 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.468 HD23 ' HA ' ' A' ' 63' ' ' LEU . 13.2 mt -64.64 -54.29 34.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.972 179.665 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.457 ' HA ' ' CG2' ' A' ' 69' ' ' VAL . . . -54.85 -44.4 73.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.861 0.363 . . . . 0.0 111.179 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.1 tptt -66.43 -55.15 17.08 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.023 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -60.09 -41.88 93.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.069 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -76.78 -26.21 54.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.623 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 75.86 61.93 2.77 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.943 -0.646 . . . . 0.0 113.651 179.04 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.457 ' CG2' ' HA ' ' A' ' 64' ' ' ALA . 0.0 OUTLIER -119.95 -85.18 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 O-C-N 122.829 -0.218 . . . . 0.0 111.155 179.925 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.544 ' O ' ' CB ' ' A' ' 71' ' ' SER . . . -179.14 -24.99 0.04 OUTLIER Glycine 0 CA--C 1.523 0.588 0 C-N-CA 119.557 -1.306 . . . . 0.0 114.655 -179.647 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.544 ' CB ' ' O ' ' A' ' 70' ' ' GLY . 53.9 p 113.17 -28.13 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 124.241 1.016 . . . . 0.0 109.64 -178.549 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -108.46 9.65 27.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.919 179.28 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -94.94 -160.31 33.85 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.541 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.439 ' C ' HD23 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -142.83 156.3 44.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.047 0.451 . . . . 0.0 111.696 -179.443 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.439 HD23 ' C ' ' A' ' 74' ' ' SER . 11.9 mt -116.32 138.93 50.92 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.531 179.476 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.402 ' OG1' ' HG2' ' A' ' 79' ' ' GLN . 2.8 p -87.59 169.06 12.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.789 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -55.35 -48.35 74.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.842 0.353 . . . . 0.0 110.965 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -58.76 -31.74 68.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.695 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.402 ' HG2' ' OG1' ' A' ' 76' ' ' THR . 23.3 mm-40 -72.37 -43.61 63.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.945 0.402 . . . . 0.0 110.108 179.318 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -50.46 -58.08 6.57 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.597 179.359 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.783 HG23 HD13 ' A' ' 9' ' ' LEU . 50.3 mt -54.61 -49.02 70.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.374 -179.796 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 7.4 mmm180 -57.16 -52.99 63.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.294 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.452 HG23 ' N ' ' A' ' 84' ' ' THR . 14.4 m -70.93 -43.42 76.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.751 0.31 . . . . 0.0 111.555 -179.625 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.452 ' N ' HG23 ' A' ' 83' ' ' VAL . 96.2 m -61.97 -45.45 93.6 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.056 0.455 . . . . 0.0 110.133 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -52.19 -49.01 64.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.648 -0.706 . . . . 0.0 111.218 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.424 ' O ' ' N ' ' A' ' 90' ' ' GLU . 2.6 m120 -59.87 -39.13 84.24 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.029 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.9 mt -58.9 -44.33 91.21 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.066 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.659 HG21 ' HB3' ' A' ' 166' ' ' HIS . 16.4 mt -71.81 -46.64 60.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.327 -179.709 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -89.13 -73.33 0.51 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.768 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 86' ' ' ASN . 0.3 OUTLIER -63.51 -167.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.621 179.792 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 39.3 mm-40 71.04 151.1 0.1 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.998 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -85.25 159.41 33.79 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.829 -0.7 . . . . 0.0 113.022 -179.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -56.49 -57.2 13.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.982 0.42 . . . . 0.0 111.003 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.15 -12.27 11.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.911 -0.586 . . . . 0.0 112.444 -179.652 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -73.65 -40.45 63.72 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.736 0.303 . . . . 0.0 111.092 -179.678 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.403 ' O ' ' HB3' ' A' ' 100' ' ' LEU . 0.1 OUTLIER -69.61 -41.86 75.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.011 0.434 . . . . 0.0 110.886 179.759 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -67.78 -36.03 79.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.809 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 2.4 ttt-85 -63.64 -66.1 0.59 Allowed 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 111.93 0.345 . . . . 0.0 111.93 -179.299 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.67 HG21 ' HB2' ' A' ' 62' ' ' TYR . 9.2 p -66.76 -39.57 83.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 112.726 0.639 . . . . 0.0 112.726 -177.824 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.403 ' HB3' ' O ' ' A' ' 96' ' ' PHE . 5.3 tp -88.25 -25.25 22.95 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.187 -0.605 . . . . 0.0 112.279 -177.792 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.453 ' N ' ' HD2' ' A' ' 102' ' ' PRO . . . -40.41 -58.34 2.49 Favored Glycine 0 CA--C 1.523 0.569 0 C-N-CA 120.909 -0.663 . . . . 0.0 113.115 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.453 ' HD2' ' N ' ' A' ' 101' ' ' GLY . 39.3 Cg_endo -66.59 -10.75 29.06 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.666 2.244 . . . . 0.0 112.6 179.596 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 45.8 t -79.74 -54.78 10.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.987 -179.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.615 ' O ' HG23 ' A' ' 108' ' ' VAL . 5.2 p -68.25 -36.95 77.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.616 0.722 . . . . 0.0 110.595 179.561 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.83 -59.26 4.85 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.677 -1.147 . . . . 0.0 111.387 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -45.31 -33.74 4.3 Favored Glycine 0 C--N 1.332 0.334 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.674 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.547 HD12 ' HA ' ' A' ' 104' ' ' VAL . 12.9 mt -77.1 -40.38 30.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 120.787 0.327 . . . . 0.0 111.529 -179.572 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.615 HG13 HD11 ' A' ' 119' ' ' ILE . 31.0 t -63.97 -29.05 46.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.691 -179.754 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -71.46 -30.43 66.79 Favored Glycine 0 CA--C 1.518 0.237 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.926 -179.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . 0.4 ' HG2' ' HB2' ' A' ' 48' ' ' GLU . 1.5 mtp -78.69 -23.76 45.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.678 0.239 . . . . 0.0 111.275 -179.287 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . 0.427 ' HB3' ' CE2' ' A' ' 40' ' ' PHE . 19.0 p -101.04 -20.27 15.45 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 113.181 0.808 . . . . 0.0 113.181 -178.228 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . 0.569 ' OD2' HG12 ' A' ' 108' ' ' VAL . 0.6 OUTLIER -62.03 104.16 0.44 Allowed 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.327 -0.549 . . . . 0.0 110.807 -178.683 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.74 -20.65 25.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.03 179.307 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 53.9 p30 -107.03 2.72 25.26 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.434 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . 43.09 65.28 0.99 Allowed 'General case' 0 N--CA 1.461 0.101 0 N-CA-C 111.789 0.292 . . . . 0.0 111.789 179.555 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 55.4 p30 -123.9 -8.77 7.78 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.667 179.44 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 79.45 8.54 87.69 Favored Glycine 0 C--N 1.333 0.395 0 C-N-CA 120.785 -0.721 . . . . 0.0 113.116 179.582 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -121.96 167.18 13.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.977 0.417 . . . . 0.0 111.545 -179.585 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.615 HD11 HG13 ' A' ' 108' ' ' VAL . 42.1 mm -111.0 100.24 10.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.196 -179.434 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . 0.432 ' O ' ' N ' ' A' ' 123' ' ' GLU . 18.4 p30 -87.63 156.58 19.41 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 178.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -44.7 -36.41 3.13 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 111.852 0.316 . . . . 0.0 111.852 -178.656 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -71.47 -30.84 66.47 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.626 0.25 . . . . 0.0 110.365 179.324 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 120' ' ' ASN . 49.0 mt-10 -77.66 -48.92 15.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.264 179.028 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . 0.504 ' CD1' HG21 ' A' ' 119' ' ' ILE . 0.6 OUTLIER -56.57 -50.88 70.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.709 -179.466 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -54.79 -42.89 72.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.4 -179.444 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -54.89 -31.97 60.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.993 -179.436 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 12.2 t90 -88.73 -36.63 16.04 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 111.696 0.258 . . . . 0.0 111.696 -178.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.507 HD13 ' HA ' ' A' ' 138' ' ' ALA . 0.2 OUTLIER -61.9 -41.61 98.1 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.965 0.412 . . . . 0.0 110.537 179.919 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . 0.422 ' HA ' ' O ' ' A' ' 133' ' ' MET . 73.0 p -71.77 -24.11 61.7 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.904 178.687 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -66.47 -38.41 87.25 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.399 179.68 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 18.1 mt -85.91 -2.72 58.54 Favored 'General case' 0 N--CA 1.463 0.188 0 N-CA-C 112.645 0.609 . . . . 0.0 112.645 -178.221 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 108.95 25.35 5.67 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 119.92 -1.133 . . . . 0.0 113.57 179.177 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' MET . . . . . 0.422 ' O ' ' HA ' ' A' ' 129' ' ' THR . 1.7 mmt -102.14 152.98 20.36 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 117.062 0.431 . . . . 0.0 109.954 179.123 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -82.21 160.75 22.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.845 0.355 . . . . 0.0 111.092 -179.773 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.04 -28.74 69.81 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.557 -179.384 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -74.1 -23.88 59.38 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.114 179.65 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -74.74 -41.46 60.08 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.586 -179.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . 0.507 ' HA ' HD13 ' A' ' 128' ' ' LEU . . . -59.18 -58.02 10.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.825 0.345 . . . . 0.0 110.967 -179.673 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -49.39 -43.29 44.13 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.111 179.612 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.67 -48.78 58.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.389 -179.491 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . 0.717 ' O ' HG23 ' A' ' 145' ' ' VAL . . . -64.66 -34.13 77.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.762 -179.228 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -58.57 -59.71 4.96 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.21 0.529 . . . . 0.0 110.8 179.651 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -56.8 -35.3 68.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.445 -0.798 . . . . 0.0 112.987 -178.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' GLN . . . . . 0.448 ' HG2' ' HA ' ' A' ' 141' ' ' ALA . 6.8 pt20 -69.2 -28.59 66.51 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 111.846 0.313 . . . . 0.0 111.846 -178.764 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 0.717 HG23 ' O ' ' A' ' 141' ' ' ALA . 33.5 t -84.09 -32.73 8.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -178.631 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.89 78.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.154 0.502 . . . . 0.0 111.297 -179.321 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . 0.449 ' N ' ' O ' ' A' ' 145' ' ' VAL . 33.3 m -57.5 -35.25 69.97 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.51 -0.768 . . . . 0.0 112.336 179.764 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 25.6 p-10 -95.19 4.99 53.0 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.231 0.456 . . . . 0.0 112.231 -178.283 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 40.78 38.39 1.58 Allowed Glycine 0 C--N 1.334 0.46 0 C-N-CA 121.052 -0.594 . . . . 0.0 113.275 179.551 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 31.5 p-10 -94.45 -6.59 43.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.546 0.212 . . . . 0.0 111.472 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 89.31 4.09 74.53 Favored Glycine 0 C--N 1.333 0.416 0 C-N-CA 120.761 -0.733 . . . . 0.0 113.501 178.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 83.7 mt-10 -134.59 135.54 42.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 117.344 0.572 . . . . 0.0 111.143 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.407 ' HB2' ' O ' ' A' ' 119' ' ' ILE . 36.0 mt -103.41 102.65 12.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.921 178.755 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.76 168.47 12.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.982 0.42 . . . . 0.0 111.594 -179.138 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 155' ' ' LEU . . . . . 0.438 ' O ' ' HG ' ' A' ' 159' ' ' LEU . 0.6 OUTLIER -48.08 -43.72 30.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.916 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -56.18 -55.75 29.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.627 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -62.75 -19.85 64.37 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.016 -0.538 . . . . 0.0 112.222 -178.67 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . 0.538 HD11 HG13 ' A' ' 119' ' ' ILE . 5.6 mt -76.29 -62.52 1.58 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.797 179.059 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.514 ' N ' HD23 ' A' ' 159' ' ' LEU . 0.9 OUTLIER -43.55 -53.09 5.84 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.427 -179.127 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 160' ' ' THR . . . . . 0.481 HG23 ' N ' ' A' ' 161' ' ' ALA . 10.5 t -51.72 -49.14 63.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.943 0.402 . . . . 0.0 110.056 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 161' ' ' ALA . . . . . 0.481 ' N ' HG23 ' A' ' 160' ' ' THR . . . -62.44 -49.57 74.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.97 178.661 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 162' ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' ' 158' ' ' LEU . 75.8 t -54.62 -21.53 7.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.513 179.535 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 163' ' ' ARG . . . . . 0.418 ' CG ' ' O ' ' A' ' 160' ' ' THR . 7.2 ptm180 -42.19 -29.22 0.23 Allowed 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.683 -179.479 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . 0.417 ' HA ' ' HA ' ' A' ' 173' ' ' GLU . 3.0 m-20 78.45 155.09 0.15 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.934 0.397 . . . . 0.0 110.842 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 165' ' ' PHE . . . . . 0.418 ' CZ ' ' HB3' ' A' ' 8' ' ' ARG . 0.3 OUTLIER -58.52 -157.27 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.961 -179.904 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . 0.659 ' HB3' HG21 ' A' ' 88' ' ' ILE . 15.8 p-80 -168.41 -42.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.09 179.732 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 167' ' ' PHE . . . . . 0.532 ' CD2' ' HB2' ' A' ' 5' ' ' ALA . 70.0 m-85 -154.93 69.57 0.73 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.299 179.456 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . 52.77 60.26 8.18 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.661 -0.781 . . . . 0.0 111.941 -179.458 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 169' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -102.76 -77.81 0.55 Allowed 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 111.638 0.236 . . . . 0.0 111.638 -179.319 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 6.8 tp -121.47 171.15 9.0 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.907 0.384 . . . . 0.0 111.36 -179.372 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 59.8 m-20 -94.12 -4.64 48.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.82 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 172' ' ' VAL . . . . . 0.432 HG11 ' HB1' ' A' ' 161' ' ' ALA . 86.5 t -45.82 -80.49 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.529 0.158 0 CA-C-O 120.596 0.236 . . . . 0.0 111.444 -179.709 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 173' ' ' GLU . . . . . 0.417 ' HA ' ' HA ' ' A' ' 164' ' ' ASP . 12.9 mt-10 50.02 179.97 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.829 0.347 . . . . 0.0 110.944 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 174' ' ' LEU . . . . . 0.464 HD22 HG13 ' A' ' 162' ' ' VAL . 0.5 OUTLIER -172.68 -68.57 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.004 179.834 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 175' ' ' LEU . . . . . . . . . . . . . 1.7 mm? 48.74 55.96 8.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.039 0.447 . . . . 0.0 110.933 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 176' ' ' GLY . . . . . 0.449 ' H ' HD23 ' A' ' 174' ' ' LEU . . . . . . . . 0 C--O 1.248 0.992 0 CA-C-O 118.405 -1.219 . . . . 0.0 112.501 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 500' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 501' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 502' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . 0.404 ' O ' ' N ' ' A' ' 3' ' ' ALA . 0.1 OUTLIER . . . . . 0 N--CA 1.484 1.245 0 CA-C-O 120.656 0.265 . . . . 0.0 110.884 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 67.37 -67.48 0.17 Allowed 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.529 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.404 ' N ' ' O ' ' A' ' 1' ' ' THR . . . -50.33 112.61 0.71 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.04 179.484 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 27.3 mm -78.29 -28.97 15.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.106 0.479 . . . . 0.0 110.889 179.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.39 -37.14 86.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.772 -179.36 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.1 t -58.08 -57.67 11.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.34 -179.534 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -49.07 -49.76 40.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.843 -179.614 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.79 -46.28 91.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.712 -178.733 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.644 HD13 HG23 ' A' ' 81' ' ' ILE . 2.5 mt -77.21 -30.38 54.64 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 111.952 0.353 . . . . 0.0 111.952 -178.754 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.77 -47.11 87.78 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.665 0.269 . . . . 0.0 111.454 -179.394 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.1 mttp -65.2 -46.47 80.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.793 -179.629 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.38 -26.26 1.99 Allowed 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 121.016 0.436 . . . . 0.0 110.833 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 43.1 t80 -71.43 -65.75 0.71 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.806 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -70.18 -21.15 63.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.214 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -73.57 -15.23 61.29 Favored 'General case' 0 N--CA 1.465 0.275 0 N-CA-C 111.737 0.273 . . . . 0.0 111.737 -179.713 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 11.6 m95 -115.65 18.08 15.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.77 0.319 . . . . 0.0 110.975 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.71 82.15 5.86 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-O 121.088 0.47 . . . . 0.0 110.71 179.593 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.453 ' CZ ' ' HB3' ' A' ' 31' ' ' LYS . 0.2 OUTLIER -53.11 -50.66 64.01 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.456 -179.308 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -99.65 -12.82 19.7 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 111.922 0.342 . . . . 0.0 111.922 -179.528 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 74.15 45.95 23.51 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.229 -0.986 . . . . 0.0 112.098 -179.51 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 18.1 p-10 -92.73 -9.66 39.87 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 111.694 0.257 . . . . 0.0 111.694 -179.663 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 83.85 21.44 57.6 Favored Glycine 0 C--N 1.332 0.316 0 C-N-CA 120.472 -0.87 . . . . 0.0 112.933 179.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -157.13 179.72 9.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.61 0.243 . . . . 0.0 110.705 179.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.428 ' O ' HD12 ' A' ' 75' ' ' LEU . 7.2 mt -118.32 119.73 35.51 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.803 0.335 . . . . 0.0 110.603 179.245 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -116.32 170.25 8.68 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.995 0.426 . . . . 0.0 110.373 179.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -69.34 -37.96 77.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.57 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.05 -19.92 35.2 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.13 179.632 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.409 ' OD1' ' HB2' ' A' ' 18' ' ' PHE . 4.7 m-20 -72.03 -27.03 62.44 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.498 179.749 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.879 ' CE2' HD12 ' A' ' 59' ' ' LEU . 7.1 m-85 -76.82 -39.44 51.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.805 0.336 . . . . 0.0 110.727 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -63.5 -40.78 97.98 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.369 179.655 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.453 ' HB3' ' CZ ' ' A' ' 18' ' ' PHE . 0.0 OUTLIER -67.01 -45.46 77.47 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.939 0.4 . . . . 0.0 110.044 179.33 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.402 ' O ' HG13 ' A' ' 36' ' ' ILE . 0.9 OUTLIER -51.8 -59.47 4.27 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 178.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -43.47 -50.85 6.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.082 178.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -62.97 -49.68 73.76 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.457 179.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -54.95 -23.92 21.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.538 179.797 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.402 HG13 ' O ' ' A' ' 32' ' ' GLU . 75.6 mt -83.5 -53.79 10.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.663 179.701 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.646 ' HB2' HG13 ' A' ' 49' ' ' VAL . . . -45.54 -42.27 10.71 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.884 0.373 . . . . 0.0 111.449 179.53 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -61.54 -39.35 90.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.149 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -58.25 -24.25 58.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.809 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 -92.47 3.72 54.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.466 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 67.41 11.75 60.01 Favored Glycine 0 C--N 1.333 0.371 0 C-N-CA 120.864 -0.684 . . . . 0.0 113.087 179.615 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -89.1 162.61 15.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.862 0.331 . . . . 0.0 110.61 179.723 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.551 ' O ' HG21 ' A' ' 49' ' ' VAL . 2.2 m-20 -72.63 131.15 42.06 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.284 -179.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.32 -14.74 63.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.246 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -103.65 14.47 53.53 Favored Glycine 0 C--N 1.332 0.326 0 C-N-CA 120.518 -0.849 . . . . 0.0 113.415 -179.277 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.603 ' HB3' HG23 ' A' ' 49' ' ' VAL . . . -71.03 -168.41 0.28 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.765 0.316 . . . . 0.0 110.827 179.135 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -91.55 -46.7 7.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.673 179.438 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.426 ' HG2' ' HG3' ' A' ' 110' ' ' MET . 0.0 OUTLIER -60.08 -27.34 66.91 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.039 -0.528 . . . . 0.0 112.135 -179.149 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.646 HG13 ' HB2' ' A' ' 37' ' ' ALA . 1.6 t -77.05 -41.88 31.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 C-N-CA 120.704 -0.398 . . . . 0.0 110.162 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.428 ' HG3' ' O ' ' A' ' 46' ' ' ALA . 0.3 OUTLIER -61.54 -41.52 97.46 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 178.788 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 95.0 m -56.87 -58.07 9.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.374 179.302 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 11.0 tp -49.79 -58.73 4.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.419 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -49.94 -40.89 45.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.714 0.292 . . . . 0.0 110.422 179.557 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -56.56 -42.73 79.05 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.652 179.643 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.71 -53.56 17.92 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.019 0.438 . . . . 0.0 110.674 179.074 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -47.77 -31.54 4.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.927 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -63.7 -50.41 61.72 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.368 179.534 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -61.23 -28.78 69.74 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.978 -0.629 . . . . 0.0 112.775 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.879 HD12 ' CE2' ' A' ' 29' ' ' PHE . 3.4 tm? -58.97 -40.44 84.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.596 0.198 . . . . 0.0 111.213 -179.569 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -59.88 -39.24 84.65 Favored 'General case' 0 C--N 1.333 -0.11 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 179.038 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -42.55 -44.8 4.29 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 121.14 0.495 . . . . 0.0 110.942 179.18 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.468 ' CE2' ' OE2' ' A' ' 66' ' ' GLU . 40.3 t80 -59.93 -38.66 83.05 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.952 179.788 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.404 ' HB3' HD21 ' A' ' 75' ' ' LEU . 33.0 mt -65.81 -58.31 5.91 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.344 -179.463 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.408 ' O ' ' N ' ' A' ' 68' ' ' GLY . . . -55.74 -43.72 76.9 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.675 0.274 . . . . 0.0 111.46 -179.489 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.35 -56.64 10.13 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.17 0.509 . . . . 0.0 110.741 179.747 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.468 ' OE2' ' CE2' ' A' ' 62' ' ' TYR . 0.5 OUTLIER -60.5 -42.5 96.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.546 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -75.31 -27.82 59.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.04 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 64' ' ' ALA . . . 78.01 51.89 5.59 Favored Glycine 0 N--CA 1.45 -0.384 0 CA-C-N 115.71 -0.677 . . . . 0.0 113.261 179.106 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.48 HG12 ' HA3' ' A' ' 73' ' ' GLY . 49.1 t -122.59 -79.29 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.561 0.22 . . . . 0.0 111.298 -179.705 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 164.71 159.98 11.76 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.57 -0.824 . . . . 0.0 112.37 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.83 -20.35 63.56 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.6 0.238 . . . . 0.0 111.077 179.072 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -115.02 12.04 16.62 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.74 -179.726 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.48 ' HA3' HG12 ' A' ' 69' ' ' VAL . . . -94.58 -165.2 35.98 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.297 -0.954 . . . . 0.0 113.102 -179.5 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -142.22 154.69 44.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.953 0.406 . . . . 0.0 111.199 -179.521 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.46 HD12 ' N ' ' A' ' 75' ' ' LEU . 0.6 OUTLIER -116.79 138.82 51.22 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.711 178.905 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 15.7 p -83.16 -170.87 3.25 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.731 0.301 . . . . 0.0 110.861 -179.559 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -75.82 -52.79 9.62 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.097 0.475 . . . . 0.0 110.699 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -56.31 -31.86 64.09 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.793 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.692 ' O ' HG23 ' A' ' 83' ' ' VAL . 2.4 mm100 -71.61 -46.07 60.26 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.014 0.435 . . . . 0.0 110.689 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.408 ' CE2' HD23 ' A' ' 9' ' ' LEU . 24.6 t80 -50.64 -54.76 20.36 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.069 179.525 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.644 HG23 HD13 ' A' ' 9' ' ' LEU . 5.5 mt -54.85 -57.4 6.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.58 -0.736 . . . . 0.0 112.027 -179.463 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -52.25 -53.39 44.46 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.821 0.343 . . . . 0.0 111.197 -179.119 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.692 HG23 ' O ' ' A' ' 79' ' ' GLN . 4.2 t -67.82 -43.42 86.2 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.226 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.43 -179.429 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 97.3 m -61.59 -43.48 98.78 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 179.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -47.84 -50.13 27.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.014 179.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -61.15 -35.75 77.92 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.044 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.72 -49.18 78.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.953 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.759 HG21 ' OD1' ' A' ' 164' ' ' ASP . 21.5 mm -75.04 -36.86 39.52 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-O 120.902 0.382 . . . . 0.0 111.091 179.563 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -88.9 -83.36 0.23 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.213 179.707 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.408 ' O ' ' HB2' ' A' ' 91' ' ' GLN . 0.0 OUTLIER -61.0 -155.67 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.504 179.656 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.408 ' HB2' ' O ' ' A' ' 90' ' ' GLU . 71.5 mm-40 66.83 150.94 0.06 Allowed 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.528 -179.774 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -85.77 155.07 28.76 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.613 -0.803 . . . . 0.0 113.636 -178.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -51.77 -57.19 9.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.207 0.527 . . . . 0.0 110.207 179.559 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.83 -12.76 18.96 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.92 179.519 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.454 ' O ' HG12 ' A' ' 99' ' ' VAL . 1.5 t -72.42 -42.33 65.24 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.864 0.364 . . . . 0.0 110.61 -179.762 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.694 ' CE1' HD22 ' A' ' 100' ' ' LEU . 1.0 OUTLIER -67.62 -44.32 78.29 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.92 179.501 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -67.32 -38.8 85.52 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.437 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 37.1 mtt180 -63.58 -61.69 2.16 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.585 -179.148 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.454 HG12 ' O ' ' A' ' 95' ' ' SER . 9.3 p -71.26 -39.38 72.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 N-CA-C 112.472 0.545 . . . . 0.0 112.472 -177.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.694 HD22 ' CE1' ' A' ' 96' ' ' PHE . 2.6 tp -85.9 -26.32 25.66 Favored 'General case' 0 C--N 1.32 -0.706 0 C-N-CA 119.923 -0.711 . . . . 0.0 111.575 -177.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.445 ' N ' ' HD2' ' A' ' 102' ' ' PRO . . . -40.32 -56.98 2.74 Favored Glycine 0 CA--C 1.522 0.521 0 C-N-CA 120.999 -0.619 . . . . 0.0 112.818 179.354 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.445 ' HD2' ' N ' ' A' ' 101' ' ' GLY . 60.0 Cg_endo -69.18 -11.46 31.65 Favored 'Trans proline' 0 CA--C 1.53 0.3 0 C-N-CA 122.549 2.166 . . . . 0.0 112.72 179.594 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 89.7 t -79.66 -54.9 10.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.793 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.636 ' O ' HG23 ' A' ' 108' ' ' VAL . 94.0 t -68.19 -32.52 56.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 121.158 0.504 . . . . 0.0 110.239 178.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.436 ' HG3' ' O ' ' A' ' 101' ' ' GLY . 9.6 mttm -55.31 -52.28 63.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.58 179.414 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -48.96 -37.36 22.19 Favored Glycine 0 N--CA 1.451 -0.363 0 CA-C-N 115.872 -0.604 . . . . 0.0 112.569 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.87 HG21 ' CZ2' ' A' ' 127' ' ' TRP . 18.7 mm -72.64 -39.11 60.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.714 0.292 . . . . 0.0 110.98 179.641 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.636 HG23 ' O ' ' A' ' 104' ' ' VAL . 12.8 t -64.79 -36.85 78.65 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.228 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -63.19 -38.35 96.37 Favored Glycine 0 C--N 1.33 0.234 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.871 -179.395 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . 0.426 ' HG3' ' HG2' ' A' ' 48' ' ' GLU . 45.9 mtp -78.53 -24.56 45.65 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.649 0.261 . . . . 0.0 110.654 -179.799 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 42.2 t -98.31 -25.02 14.98 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 113.104 0.779 . . . . 0.0 113.104 -178.053 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . 0.544 ' CG ' HG12 ' A' ' 108' ' ' VAL . 21.7 m-20 -61.35 103.37 0.3 Allowed 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.274 -0.57 . . . . 0.0 110.853 -177.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.09 -20.92 26.41 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.978 179.516 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 20.0 p30 -106.56 -2.0 22.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.517 -0.311 . . . . 0.0 111.317 179.601 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . 49.51 57.24 6.72 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 111.679 0.251 . . . . 0.0 111.679 179.603 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 38.6 p-10 -116.25 -7.91 11.75 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.965 -0.294 . . . . 0.0 111.36 178.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 79.29 9.64 86.79 Favored Glycine 0 C--N 1.336 0.574 0 C-N-CA 120.861 -0.685 . . . . 0.0 113.159 179.401 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 30.6 mt-30 -124.2 168.65 12.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.891 0.376 . . . . 0.0 111.16 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.718 HG13 HD11 ' A' ' 158' ' ' LEU . 27.9 mm -108.5 100.88 11.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.819 -179.396 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -83.51 159.95 21.59 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 179.193 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -52.13 -37.53 54.61 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.92 -0.312 . . . . 0.0 111.197 -178.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -72.16 -23.47 61.29 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 178.631 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -83.12 -49.87 9.05 Favored 'General case' 0 C--O 1.232 0.159 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 178.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . 0.531 ' CE2' HD11 ' A' ' 128' ' ' LEU . 4.3 t80 -56.29 -49.75 73.35 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.792 179.773 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.692 ' O ' HG23 ' A' ' 129' ' ' THR . . . -57.55 -43.59 84.56 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.092 179.784 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -57.85 -37.12 73.31 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.933 -179.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' TRP . . . . . 0.87 ' CZ2' HG21 ' A' ' 107' ' ' ILE . 13.3 t90 -82.51 -42.31 18.58 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 111.816 0.302 . . . . 0.0 111.816 -178.66 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.541 HD12 ' HA ' ' A' ' 138' ' ' ALA . 31.8 mt -59.18 -38.32 79.52 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.935 0.398 . . . . 0.0 110.548 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . 0.692 HG23 ' O ' ' A' ' 125' ' ' ALA . 49.9 p -70.32 -24.85 63.07 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.113 179.467 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -66.57 -37.99 86.12 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.739 179.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 31.5 mt -84.15 1.63 43.45 Favored 'General case' 0 N--CA 1.463 0.198 0 N-CA-C 112.908 0.707 . . . . 0.0 112.908 -177.511 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 105.12 19.95 10.23 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 119.924 -1.131 . . . . 0.0 113.681 178.674 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' MET . . . . . . . . . . . . . 4.8 mmt -96.87 155.89 16.58 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 178.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.56 172.12 14.16 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.092 0.472 . . . . 0.0 111.737 -179.015 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 4.4 mttm -77.63 -26.74 50.78 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.856 -179.447 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -81.13 -29.69 34.71 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 111.896 0.332 . . . . 0.0 111.896 -179.542 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.26 -38.62 71.86 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.397 -179.419 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . 0.541 ' HA ' HD12 ' A' ' 128' ' ' LEU . . . -59.73 -54.57 44.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.819 0.342 . . . . 0.0 110.617 -179.817 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -47.32 -44.16 23.4 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.953 179.604 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -70.88 -44.66 65.85 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.149 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . 0.402 ' O ' HG23 ' A' ' 145' ' ' VAL . . . -63.83 -39.94 95.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.841 -0.618 . . . . 0.0 112.025 -179.134 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' PHE . . . . . 0.468 ' CE1' ' HG ' ' A' ' 153' ' ' LEU . 76.0 t80 -54.59 -58.37 7.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.919 0.39 . . . . 0.0 110.655 179.437 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -56.56 -33.69 66.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.823 -179.69 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' GLN . . . . . 0.572 ' HB3' HD21 ' A' ' 170' ' ' LEU . 4.6 mt-30 -65.55 -36.96 85.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.056 -0.52 . . . . 0.0 112.284 -178.782 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 0.491 ' O ' ' N ' ' A' ' 147' ' ' THR . 33.3 t -82.57 -28.74 8.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -178.129 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -61.26 77.79 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.266 0 CA-C-O 121.325 0.583 . . . . 0.0 111.022 -179.276 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . 0.491 ' N ' ' O ' ' A' ' 145' ' ' VAL . 90.0 m -56.39 -38.16 71.1 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.346 -0.843 . . . . 0.0 112.368 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 54.3 p30 -92.66 6.72 46.37 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.805 -178.584 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 39.0 36.43 0.49 Allowed Glycine 0 C--N 1.336 0.552 0 C-N-CA 121.317 -0.468 . . . . 0.0 113.643 179.242 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 48.2 p-10 -93.63 -4.36 50.88 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.638 0.256 . . . . 0.0 111.337 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 89.65 3.0 75.02 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.51 -0.852 . . . . 0.0 113.268 179.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -132.39 133.57 44.08 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 117.471 0.635 . . . . 0.0 110.225 179.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.468 ' HG ' ' CE1' ' A' ' 142' ' ' PHE . 24.8 mt -98.22 105.53 17.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.601 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 3.8 t -91.06 163.19 14.39 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.312 0.577 . . . . 0.0 112.514 -178.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 155' ' ' LEU . . . . . 0.686 HD13 HD21 ' A' ' 159' ' ' LEU . 0.2 OUTLIER -48.88 -43.38 38.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.179 -0.919 . . . . 0.0 111.361 179.768 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -56.67 -59.53 4.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.347 -179.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -64.05 -18.05 63.97 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.983 -179.068 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . 0.718 HD11 HG13 ' A' ' 119' ' ' ILE . 0.2 OUTLIER -70.56 -53.71 14.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.028 179.79 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.686 HD21 HD13 ' A' ' 155' ' ' LEU . 0.5 OUTLIER -60.02 -40.41 89.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.017 -179.38 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 160' ' ' THR . . . . . 0.415 ' O ' ' HB3' ' A' ' 163' ' ' ARG . 99.9 m -51.83 -60.24 3.4 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.079 -179.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -60.49 -53.52 56.5 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 179.519 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 162' ' ' VAL . . . . . 0.69 HG22 HG11 ' A' ' 172' ' ' VAL . 72.6 t -55.87 -37.47 47.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.917 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 163' ' ' ARG . . . . . 0.415 ' HB3' ' O ' ' A' ' 160' ' ' THR . 13.1 ttp180 -42.21 -81.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.729 -178.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . 0.759 ' OD1' HG21 ' A' ' 88' ' ' ILE . 0.7 OUTLIER -80.37 155.4 27.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.101 0.477 . . . . 0.0 111.657 -179.62 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 165' ' ' PHE . . . . . 0.446 ' CE1' ' CE1' ' A' ' 166' ' ' HIS . 39.3 p90 176.59 34.55 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.988 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . 0.446 ' CE1' ' CE1' ' A' ' 165' ' ' PHE . 43.8 m-70 -112.91 -60.52 1.87 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.769 -179.604 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 167' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -83.84 11.08 8.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.298 179.367 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . 105.39 87.97 2.02 Favored Glycine 0 C--N 1.337 0.62 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.393 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 169' ' ' ARG . . . . . 0.472 ' HG2' ' HB3' ' A' ' 164' ' ' ASP . 0.0 OUTLIER -110.39 -50.96 2.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.782 0.325 . . . . 0.0 111.473 -179.578 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 170' ' ' LEU . . . . . 0.572 HD21 ' HB3' ' A' ' 144' ' ' GLN . 3.6 tp 179.85 179.51 0.52 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.209 -0.45 . . . . 0.0 109.937 -179.13 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -80.74 0.15 35.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.673 0.273 . . . . 0.0 111.33 179.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 172' ' ' VAL . . . . . 0.69 HG11 HG22 ' A' ' 162' ' ' VAL . 62.7 t -70.34 -80.96 0.03 OUTLIER 'Isoleucine or valine' 0 C--O 1.233 0.191 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.322 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 47.73 56.75 6.73 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.849 0.357 . . . . 0.0 110.934 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 174' ' ' LEU . . . . . 0.515 ' HB3' HG13 ' A' ' 162' ' ' VAL . 4.1 tt -91.01 147.82 22.82 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.57 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 175' ' ' LEU . . . . . . . . . . . . . 1.2 tt 177.47 74.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.336 179.663 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.093 0 CA-C-O 118.217 -1.324 . . . . 0.0 112.14 179.555 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 500' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 501' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 502' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.709 0.29 . . . . 0.0 111.005 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.0 p -57.62 142.96 43.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.981 0.419 . . . . 0.0 111.059 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -75.58 -3.43 34.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.663 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.404 ' O ' ' HD2' ' A' ' 8' ' ' ARG . 13.1 mt -79.71 -25.98 12.32 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-O 121.033 0.444 . . . . 0.0 111.037 179.682 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.43 ' O ' HD12 ' A' ' 9' ' ' LEU . . . -63.62 -38.12 89.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.796 -0.638 . . . . 0.0 112.253 -179.258 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.6 m -60.94 -56.0 26.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.741 0.305 . . . . 0.0 111.109 -179.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.94 -49.92 37.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.495 -179.509 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.404 ' HD2' ' O ' ' A' ' 4' ' ' ILE . 0.0 OUTLIER -62.26 -43.27 99.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.436 -179.044 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.472 HD22 ' HA ' ' A' ' 81' ' ' ILE . 0.5 OUTLIER -77.34 -32.91 55.5 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 111.872 0.323 . . . . 0.0 111.872 -178.878 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.68 -63.72 1.17 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.928 0.394 . . . . 0.0 111.081 -179.796 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.425 ' O ' ' HB2' ' A' ' 15' ' ' ARG . 0.2 OUTLIER -50.17 -47.49 54.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.218 -179.646 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.29 -29.78 4.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.785 0.326 . . . . 0.0 111.337 -179.745 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -73.12 -63.85 1.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.708 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 -68.82 -12.6 61.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.092 179.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.425 ' HB2' ' O ' ' A' ' 11' ' ' LYS . 0.1 OUTLIER -71.4 -18.22 62.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.566 0.222 . . . . 0.0 111.178 -179.537 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.454 ' CZ2' ' HA3' ' A' ' 176' ' ' GLY . 3.0 m95 -103.75 -91.66 0.36 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.647 -0.251 . . . . 0.0 111.095 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 41.68 75.84 0.08 Allowed 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 121.084 0.468 . . . . 0.0 111.465 -179.784 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.487 ' CE1' ' HB3' ' A' ' 31' ' ' LYS . 1.2 m-85 -54.46 -50.87 66.68 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.557 -179.05 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 22.3 p-10 -98.5 -12.3 21.41 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 -179.285 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 78.09 40.27 21.13 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.444 -0.884 . . . . 0.0 112.554 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.0 p-10 -89.66 -12.39 39.72 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.723 0.261 . . . . 0.0 111.387 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 84.17 22.32 54.95 Favored Glycine 0 C--N 1.332 0.348 0 C-N-CA 120.627 -0.797 . . . . 0.0 112.687 179.529 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -155.37 178.92 9.67 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.713 0.292 . . . . 0.0 110.403 179.685 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.418 HD12 ' HA ' ' A' ' 24' ' ' LEU . 12.7 tp -117.44 128.12 54.69 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.66 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 71.9 mt-10 -126.89 172.79 10.12 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.367 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.81 -33.42 74.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.806 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.01 -21.29 66.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.948 179.442 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.16 -28.99 63.59 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.088 179.465 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -78.59 -36.14 44.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.339 179.514 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -66.33 -38.74 88.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.663 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.487 ' HB3' ' CE1' ' A' ' 18' ' ' PHE . 4.9 mttm -67.44 -43.62 80.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.907 0.384 . . . . 0.0 110.544 179.656 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.4 ' O ' HG13 ' A' ' 36' ' ' ILE . 2.9 tt0 -49.06 -64.92 0.67 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.138 179.744 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -43.6 -46.55 7.25 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.202 0.525 . . . . 0.0 110.858 179.082 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -64.24 -54.79 27.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.786 179.615 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -52.51 -34.36 49.32 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.791 0.329 . . . . 0.0 110.518 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.4 HG13 ' O ' ' A' ' 32' ' ' GLU . 84.3 mt -71.14 -55.51 13.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.576 179.358 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -42.56 -42.23 3.3 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.725 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -58.6 -40.9 84.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.553 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.608 ' HB1' ' O ' ' A' ' 130' ' ' ALA . . . -57.04 -21.47 31.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.397 -179.542 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.401 ' CZ ' ' HA ' ' A' ' 127' ' ' TRP . 26.3 m-85 -92.63 1.8 57.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.68 -0.236 . . . . 0.0 111.375 179.651 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 53.54 19.64 9.77 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.826 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.7 tttt -92.55 -152.52 0.32 Allowed 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 179.564 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.43 ' HB2' ' HB2' ' A' ' 46' ' ' ALA . 8.3 m-20 -69.18 -166.97 0.1 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.074 0.464 . . . . 0.0 111.886 -178.578 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.89 ' O ' HG11 ' A' ' 49' ' ' VAL . . . -140.21 -59.25 0.54 Allowed 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 178.386 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -92.87 27.04 11.78 Favored Glycine 0 N--CA 1.45 -0.404 0 CA-C-N 114.905 -1.043 . . . . 0.0 111.969 179.54 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.43 ' HB2' ' HB2' ' A' ' 43' ' ' ASP . . . -68.25 -166.15 0.06 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.828 0.347 . . . . 0.0 110.943 179.092 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -89.52 -47.99 7.61 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.034 179.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -57.5 -28.33 63.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.447 -179.129 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.89 HG11 ' O ' ' A' ' 44' ' ' ALA . 7.3 p -77.32 -42.24 30.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.691 179.732 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.42 ' O ' ' HB2' ' A' ' 54' ' ' ASN . 1.0 OUTLIER -61.4 -42.91 99.47 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 178.713 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 15.7 m -58.57 -54.99 40.86 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.947 -0.569 . . . . 0.0 109.746 178.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 11.2 tp -50.8 -62.49 1.57 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.192 179.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.48 -42.0 61.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.716 179.52 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.42 ' HB2' ' O ' ' A' ' 50' ' ' GLN . 6.5 t-20 -56.39 -41.4 76.22 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.925 0.393 . . . . 0.0 110.174 179.808 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.42 -32.51 72.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.046 179.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -67.11 -31.86 72.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.82 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -64.75 -48.06 76.49 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.185 179.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -58.69 -34.96 79.25 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.623 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.573 HD12 HG12 ' A' ' 99' ' ' VAL . 2.9 tp -56.28 -32.34 64.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.892 0.377 . . . . 0.0 110.023 179.775 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -63.02 -44.76 95.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.398 179.167 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -43.16 -50.62 6.26 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.525 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -58.35 -41.34 84.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.12 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.567 ' HB3' HD21 ' A' ' 75' ' ' LEU . 23.3 mt -64.8 -57.57 8.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.188 -179.413 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.608 ' HB1' ' O ' ' A' ' 69' ' ' VAL . . . -54.18 -45.44 72.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.574 179.779 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 9.9 tttp -65.72 -51.72 56.99 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.856 0.36 . . . . 0.0 110.969 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -62.53 -40.61 97.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.112 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -77.13 -26.82 53.56 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.804 0.335 . . . . 0.0 111.601 -179.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 103.62 0.24 46.21 Favored Glycine 0 CA--C 1.52 0.35 0 C-N-CA 120.525 -0.845 . . . . 0.0 114.154 178.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.608 ' O ' ' HB1' ' A' ' 64' ' ' ALA . 26.9 m -101.44 174.09 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 117.277 0.538 . . . . 0.0 110.067 179.345 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -86.73 179.27 48.87 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.689 -0.767 . . . . 0.0 113.845 -178.479 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 16.2 m -65.12 -13.07 57.18 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.249 -0.476 . . . . 0.0 110.962 178.158 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -113.02 12.58 19.27 Favored 'General case' 0 N--CA 1.462 0.146 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 -179.401 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -93.21 -164.53 37.49 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.344 -0.931 . . . . 0.0 112.307 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -141.58 154.41 45.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.155 0.502 . . . . 0.0 111.804 -179.232 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.567 HD21 ' HB3' ' A' ' 63' ' ' LEU . 3.4 mp -116.04 138.74 50.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.357 179.559 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 6.7 p -86.65 -173.82 4.68 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.676 179.64 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -72.65 -48.74 36.81 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.991 0.424 . . . . 0.0 110.742 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -58.04 -32.77 68.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.878 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -72.46 -43.12 64.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.978 0.418 . . . . 0.0 110.255 179.389 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -49.96 -55.7 13.55 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.727 179.479 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.472 ' HA ' HD22 ' A' ' 9' ' ' LEU . 71.9 mt -54.54 -52.13 43.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.312 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.15 -55.32 32.53 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.011 -0.541 . . . . 0.0 112.007 -178.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 11.9 t -71.74 -40.96 70.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 N-CA-C 111.752 0.279 . . . . 0.0 111.752 -179.258 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.409 HG21 ' CE1' ' A' ' 166' ' ' HIS . 94.6 m -62.27 -45.09 94.84 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.937 0.398 . . . . 0.0 110.48 179.804 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -50.96 -49.14 60.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.296 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 29.0 m-80 -59.06 -37.54 77.27 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.137 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.9 mt -59.69 -45.46 92.03 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.218 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 16.8 mm -73.11 -42.47 58.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.444 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -89.95 -75.0 0.46 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.775 0.321 . . . . 0.0 111.184 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.407 ' O ' ' HB2' ' A' ' 91' ' ' GLN . 21.3 mm-40 -64.1 -161.97 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.019 -179.752 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.407 ' HB2' ' O ' ' A' ' 90' ' ' GLU . 0.6 OUTLIER 71.07 -83.48 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.396 -179.617 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 127.55 172.27 13.21 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.253 -0.975 . . . . 0.0 113.04 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -55.31 -58.84 6.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.124 0.487 . . . . 0.0 111.032 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.433 ' O ' ' HB2' ' A' ' 98' ' ' ARG . . . -59.78 -16.86 31.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.562 -0.745 . . . . 0.0 112.209 -179.326 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.407 ' HB2' ' HB3' ' A' ' 91' ' ' GLN . 60.5 m -79.63 -44.94 20.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.974 0.416 . . . . 0.0 110.806 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.415 ' CE1' HD22 ' A' ' 100' ' ' LEU . 0.2 OUTLIER -71.31 -38.79 71.72 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.139 179.945 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -68.8 -35.2 76.72 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.9 -0.591 . . . . 0.0 112.016 -179.6 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.433 ' HB2' ' O ' ' A' ' 94' ' ' ALA . 0.3 OUTLIER -63.05 -66.81 0.49 Allowed 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.064 0.394 . . . . 0.0 112.064 -179.045 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.573 HG12 HD12 ' A' ' 59' ' ' LEU . 46.7 t -69.2 -35.88 70.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 112.683 0.623 . . . . 0.0 112.683 -178.071 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.415 HD22 ' CE1' ' A' ' 96' ' ' PHE . 8.3 tp -89.1 -26.47 21.34 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 119.815 -0.754 . . . . 0.0 111.948 -178.166 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.479 ' N ' ' HD2' ' A' ' 102' ' ' PRO . . . -42.25 -53.83 4.77 Favored Glycine 0 CA--C 1.522 0.51 0 C-N-CA 120.926 -0.654 . . . . 0.0 112.987 179.488 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.479 ' HD2' ' N ' ' A' ' 101' ' ' GLY . 57.1 Cg_endo -70.52 -14.02 33.28 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.649 2.233 . . . . 0.0 112.081 179.596 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.512 HG21 HD13 ' A' ' 59' ' ' LEU . 41.4 t -78.39 -49.32 21.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.724 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.637 ' CG1' HD22 ' A' ' 158' ' ' LEU . 10.4 t -70.54 -31.99 48.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.174 0.511 . . . . 0.0 110.3 179.305 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.24 -50.59 72.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.763 179.264 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -51.35 -39.99 44.87 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.246 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 24.4 mt -72.76 -41.0 61.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.761 0.315 . . . . 0.0 111.058 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.664 HG13 HD11 ' A' ' 119' ' ' ILE . 76.0 t -63.08 -36.18 74.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.119 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -51.79 -46.65 54.4 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.354 -0.927 . . . . 0.0 112.293 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 23.3 mtm -78.14 -19.4 54.1 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.455 0.169 . . . . 0.0 111.402 -179.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 34.9 t -92.6 44.72 1.16 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.866 0.365 . . . . 0.0 111.713 -178.556 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 54.5 t0 -165.98 108.64 0.77 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.687 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 3.0 mtmt -93.07 -4.33 52.61 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 115.527 -0.76 . . . . 0.0 111.196 178.41 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . 0.447 ' O ' ' HB3' ' A' ' 115' ' ' ALA . 0.8 OUTLIER -102.73 -17.68 15.51 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-O 120.706 0.289 . . . . 0.0 110.929 179.593 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.447 ' HB3' ' O ' ' A' ' 114' ' ' ASN . . . 68.68 62.94 0.33 Allowed 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 112.265 0.469 . . . . 0.0 112.265 178.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -119.82 -13.8 9.04 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 121.019 -0.272 . . . . 0.0 111.613 179.43 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 80.54 9.41 86.48 Favored Glycine 0 CA--C 1.519 0.298 0 C-N-CA 120.714 -0.755 . . . . 0.0 113.112 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 15.0 mm-40 -122.92 164.32 18.7 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-O 121.092 0.472 . . . . 0.0 111.459 -179.714 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.664 HD11 HG13 ' A' ' 108' ' ' VAL . 19.7 mm -109.89 100.9 11.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.15 -179.481 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . 0.414 ' O ' ' N ' ' A' ' 123' ' ' GLU . 6.5 m120 -86.73 157.51 19.62 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 110.106 -0.331 . . . . 0.0 110.106 179.436 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -47.87 -38.69 16.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.672 -179.032 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -70.48 -26.75 63.76 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 179.23 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 120' ' ' ASN . 20.7 mt-10 -85.76 -47.53 9.66 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 178.62 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -54.82 -51.43 65.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.811 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.412 ' HA ' ' HB1' ' A' ' 138' ' ' ALA . . . -58.48 -40.47 82.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.816 179.723 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -54.83 -33.34 61.57 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.297 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' TRP . . . . . 0.401 ' HA ' ' CZ ' ' A' ' 40' ' ' PHE . 18.6 t90 -88.18 -36.91 16.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.642 -0.254 . . . . 0.0 111.547 -178.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.28 -42.0 98.96 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.072 0.463 . . . . 0.0 110.156 179.806 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . 0.416 ' HA ' ' O ' ' A' ' 133' ' ' MET . 70.8 p -72.35 -22.62 61.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.296 178.686 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . 0.608 ' O ' ' HB1' ' A' ' 39' ' ' ALA . . . -67.84 -38.47 83.22 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.315 179.601 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 9.4 mt -85.54 -0.19 54.28 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 112.524 0.565 . . . . 0.0 112.524 -178.235 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 108.59 22.53 6.99 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 119.93 -1.129 . . . . 0.0 113.921 179.09 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' MET . . . . . 0.416 ' O ' ' HA ' ' A' ' 129' ' ' THR . 8.0 mmt -99.17 155.35 17.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 117.361 0.58 . . . . 0.0 109.823 178.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 54.5 m -81.48 161.69 23.55 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.756 0.312 . . . . 0.0 110.95 -179.551 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -66.96 -21.99 65.95 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.952 -179.174 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -83.64 -30.04 27.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.639 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.65 -35.22 70.3 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.396 -179.558 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . 0.412 ' HB1' ' HA ' ' A' ' 125' ' ' ALA . . . -59.56 -56.86 16.66 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.027 0.441 . . . . 0.0 110.413 179.767 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -47.61 -41.85 22.83 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.414 179.392 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -70.26 -48.23 57.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.752 -179.456 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . 0.83 ' O ' HG23 ' A' ' 145' ' ' VAL . . . -63.48 -36.16 82.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.937 0.398 . . . . 0.0 111.719 -179.378 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 83.1 t80 -54.85 -60.74 2.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.823 179.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 20.8 m-20 -55.67 -35.44 66.0 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.535 -0.757 . . . . 0.0 112.215 -179.184 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' GLN . . . . . 0.703 ' CB ' HD13 ' A' ' 170' ' ' LEU . 39.7 mt-30 -66.78 -32.36 73.59 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 -179.071 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 0.83 HG23 ' O ' ' A' ' 141' ' ' ALA . 3.5 t -85.02 -35.8 10.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 112.838 0.681 . . . . 0.0 112.838 -178.131 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . 0.408 ' N ' HD21 ' A' ' 153' ' ' LEU . 0.6 OUTLIER -61.81 79.91 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.265 0.555 . . . . 0.0 111.311 -179.251 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . 0.433 ' N ' ' O ' ' A' ' 145' ' ' VAL . 0.2 OUTLIER -56.85 -31.62 64.98 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.27 -0.877 . . . . 0.0 112.668 179.598 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -95.88 6.6 48.5 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.41 0.522 . . . . 0.0 112.41 -178.082 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 40.23 29.07 0.19 Allowed Glycine 0 C--N 1.332 0.359 0 C-N-CA 120.986 -0.626 . . . . 0.0 113.195 179.614 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 45.4 p-10 -88.88 -4.22 58.53 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.633 0.254 . . . . 0.0 111.176 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 87.31 6.04 78.69 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.641 -0.79 . . . . 0.0 113.489 179.097 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -135.36 134.92 40.27 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 117.627 0.713 . . . . 0.0 110.792 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.425 ' HB2' ' HB ' ' A' ' 119' ' ' ILE . 56.2 mt -101.02 105.63 16.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.291 179.016 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 27.0 t -88.35 165.84 14.69 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.706 -179.1 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 81.6 mt -48.23 -44.35 33.05 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.71 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . 0.419 ' O ' HG23 ' A' ' 160' ' ' THR . 4.6 t0 -57.35 -51.55 68.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.244 0.545 . . . . 0.0 110.831 179.475 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -64.98 -15.03 61.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.41 -0.814 . . . . 0.0 112.472 -178.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . 0.637 HD22 ' CG1' ' A' ' 104' ' ' VAL . 0.2 OUTLIER -75.54 -39.53 58.13 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.173 179.553 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.614 ' N ' HD23 ' A' ' 159' ' ' LEU . 0.2 OUTLIER -73.36 -31.43 63.93 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.899 0.381 . . . . 0.0 110.643 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 160' ' ' THR . . . . . 0.419 HG23 ' O ' ' A' ' 156' ' ' ASP . 49.8 p -53.82 -23.28 11.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.566 179.589 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 161' ' ' ALA . . . . . 0.679 ' HB1' HG11 ' A' ' 172' ' ' VAL . . . -65.26 -58.28 6.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.537 179.035 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 162' ' ' VAL . . . . . 0.494 HG22 ' HB3' ' A' ' 174' ' ' LEU . 3.8 t -54.08 -22.97 8.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.723 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 24.8 ttm180 -37.04 -36.12 0.12 Allowed 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 -179.069 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -159.5 77.11 0.69 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.723 0.297 . . . . 0.0 111.243 -179.543 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 165' ' ' PHE . . . . . 0.45 ' CE2' HG13 ' A' ' 162' ' ' VAL . 20.3 p90 -109.3 -28.53 8.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.693 179.511 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . 0.409 ' CE1' HG21 ' A' ' 84' ' ' THR . 1.8 m170 -72.86 -18.6 61.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.393 179.001 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 167' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -104.43 -17.88 14.61 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.719 179.316 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . 125.56 103.61 1.41 Allowed Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.268 -179.614 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 169' ' ' ARG . . . . . 0.604 ' CZ ' HD21 ' A' ' 170' ' ' LEU . 0.0 OUTLIER -100.91 -78.65 0.52 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.869 0.366 . . . . 0.0 110.984 -179.815 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 170' ' ' LEU . . . . . 0.703 HD13 ' CB ' ' A' ' 144' ' ' GLN . 0.0 OUTLIER -170.21 -81.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.479 179.906 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . 0.453 ' HB3' ' HB2' ' A' ' 141' ' ' ALA . 0.8 OUTLIER -156.41 31.66 0.33 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.26 -179.678 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 172' ' ' VAL . . . . . 0.679 HG11 ' HB1' ' A' ' 161' ' ' ALA . 7.3 p -112.15 -48.91 6.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.196 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 173' ' ' GLU . . . . . 0.514 ' N ' HG13 ' A' ' 172' ' ' VAL . 0.9 OUTLIER 64.35 -73.25 0.05 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.883 179.916 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 174' ' ' LEU . . . . . 0.494 ' HB3' HG22 ' A' ' 162' ' ' VAL . 0.2 OUTLIER 72.96 46.22 0.26 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.062 179.665 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 175' ' ' LEU . . . . . . . . . . . . . 7.3 tp -159.65 -67.9 0.08 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.775 0.321 . . . . 0.0 111.057 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 176' ' ' GLY . . . . . 0.454 ' HA3' ' CZ2' ' A' ' 16' ' ' TRP . . . . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.458 -1.19 . . . . 0.0 112.55 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 500' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 501' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 502' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 43.8 p . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.711 0.291 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER 59.03 23.85 12.03 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.976 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -58.24 111.19 1.12 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.969 0.414 . . . . 0.0 111.328 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.3 mt -77.35 -35.34 22.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.667 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.61 -34.69 78.38 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.975 -179.223 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -57.81 -46.7 84.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.824 0.345 . . . . 0.0 111.048 -179.603 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.44 -46.71 89.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.561 -179.719 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -60.9 -48.75 80.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.594 -179.061 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.941 HD11 ' CE1' ' A' ' 166' ' ' HIS . 47.8 mt -77.49 -29.72 52.71 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 121.043 -0.263 . . . . 0.0 111.514 -179.264 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.95 -50.86 72.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.809 0.338 . . . . 0.0 111.015 -179.287 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 42.6 mttm -62.61 -44.99 94.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.05 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.01 -28.53 2.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.779 0.323 . . . . 0.0 111.331 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -74.54 -61.96 1.69 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.909 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -68.17 -21.42 64.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.902 0.382 . . . . 0.0 110.575 179.479 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.42 -16.54 60.33 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.48 -179.74 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 2.2 m0 -111.18 18.14 19.64 Favored 'General case' 0 C--N 1.333 -0.135 0 N-CA-C 112.11 0.411 . . . . 0.0 112.11 -179.157 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -80.36 81.01 6.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.917 0.389 . . . . 0.0 110.773 179.646 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -54.77 -51.99 63.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.551 -179.239 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.405 ' OD1' ' N ' ' A' ' 19' ' ' ASP . 7.8 p-10 -96.57 -12.75 23.59 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.548 0.213 . . . . 0.0 111.466 -179.603 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.36 43.03 21.39 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.535 -0.84 . . . . 0.0 111.899 -179.577 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.413 ' OD1' ' N ' ' A' ' 21' ' ' ASN . 9.1 p-10 -92.22 -11.58 35.02 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 111.6 0.222 . . . . 0.0 111.6 -179.543 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 83.66 21.0 58.85 Favored Glycine 0 C--N 1.331 0.295 0 C-N-CA 120.551 -0.833 . . . . 0.0 112.326 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.521 ' HB1' ' HB2' ' A' ' 74' ' ' SER . . . -155.28 178.36 10.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.716 0.293 . . . . 0.0 110.676 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 19.7 mt -118.65 124.09 46.54 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.783 179.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -119.48 173.47 6.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.042 0.449 . . . . 0.0 110.393 179.607 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 32.8 ttp180 -69.59 -32.51 71.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.052 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.29 -18.82 65.58 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.048 179.556 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.3 -31.46 67.48 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 179.318 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -78.91 -41.33 29.84 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.217 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -61.99 -39.75 93.28 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 179.545 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.36 -42.18 88.43 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.106 0.479 . . . . 0.0 109.846 179.08 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.425 ' O ' HG12 ' A' ' 36' ' ' ILE . 1.3 tt0 -52.04 -63.01 1.28 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.139 179.409 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -44.39 -49.23 9.75 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.88 0.371 . . . . 0.0 111.265 179.63 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -62.35 -49.5 75.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.421 179.807 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 17.2 t60 -54.26 -23.97 16.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.905 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.425 HG12 ' O ' ' A' ' 32' ' ' GLU . 14.2 mm -82.92 -50.93 15.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.016 179.79 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -46.27 -43.75 15.91 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 120.935 0.398 . . . . 0.0 111.124 179.56 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -61.02 -41.96 97.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.398 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.58 -29.34 69.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.79 0.329 . . . . 0.0 110.846 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.417 ' CE2' ' SG ' ' A' ' 111' ' ' CYS . 2.3 m-85 -91.82 4.9 51.82 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.62 -179.772 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 70.35 20.61 76.96 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.365 -0.922 . . . . 0.0 111.982 -179.282 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -88.73 -179.2 5.95 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.113 0.482 . . . . 0.0 111.248 -179.461 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.426 ' OD1' ' N ' ' A' ' 43' ' ' ASP . 0.4 OUTLIER -70.53 -154.9 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.971 -179.666 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -138.62 -61.69 0.58 Allowed 'General case' 0 N--CA 1.456 -0.174 0 N-CA-C 108.415 -0.958 . . . . 0.0 108.415 178.043 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -96.76 23.06 37.09 Favored Glycine 0 N--CA 1.451 -0.334 0 CA-C-N 115.105 -0.952 . . . . 0.0 112.206 179.317 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.16 -166.12 0.29 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 117.068 0.434 . . . . 0.0 111.117 179.296 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -83.14 -55.39 4.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.901 0.381 . . . . 0.0 110.067 178.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -50.79 -42.31 57.89 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.698 -179.412 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 20.4 t -77.07 -39.05 28.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 110.148 -0.316 . . . . 0.0 110.148 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.16 -40.93 95.72 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 178.479 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.2 m -58.1 -57.64 11.95 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.411 179.178 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.409 HD11 ' CE2' ' A' ' 56' ' ' PHE . 13.1 tp -51.2 -58.27 6.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.31 -179.771 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.84 -40.52 56.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.765 -0.198 . . . . 0.0 110.776 179.717 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 49.2 t-20 -57.75 -40.4 79.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.999 0.428 . . . . 0.0 110.041 179.67 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.93 -46.28 68.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.528 179.227 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.409 ' CE2' HD11 ' A' ' 52' ' ' LEU . 2.5 m-85 -54.53 -32.32 57.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.719 179.714 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -62.39 -51.5 55.91 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.545 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -63.14 -26.81 69.63 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.48 -0.866 . . . . 0.0 112.401 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 7.8 tt -58.31 -42.56 86.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.868 0.366 . . . . 0.0 110.521 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.479 ' HA ' HD12 ' A' ' 63' ' ' LEU . 31.5 t80 -60.97 -40.19 92.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.135 179.349 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -42.91 -49.3 5.92 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.254 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.479 ' CE1' ' HG3' ' A' ' 66' ' ' GLU . 4.6 t80 -59.66 -36.43 76.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.637 179.703 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.501 ' HB3' HD11 ' A' ' 75' ' ' LEU . 74.2 mt -65.12 -54.67 26.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.452 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.81 ' HB1' ' O ' ' A' ' 69' ' ' VAL . . . -56.81 -49.24 75.98 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.171 -0.468 . . . . 0.0 112.117 179.409 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.21 -50.61 71.1 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.789 0.328 . . . . 0.0 111.204 -179.164 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.479 ' HG3' ' CE1' ' A' ' 62' ' ' TYR . 1.8 mm-40 -62.87 -40.43 97.49 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.184 179.738 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.423 ' CB ' ' CD2' ' A' ' 75' ' ' LEU . . . -79.14 -26.61 42.78 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 -179.288 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 103.4 4.73 46.63 Favored Glycine 0 CA--C 1.519 0.331 0 C-N-CA 120.5 -0.857 . . . . 0.0 113.704 179.297 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.81 ' O ' ' HB1' ' A' ' 64' ' ' ALA . 26.2 m -104.53 170.19 2.02 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.839 0.319 . . . . 0.0 110.21 179.469 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -88.4 -178.41 46.92 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.708 -0.758 . . . . 0.0 113.697 -178.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 18.1 m -64.12 -12.67 41.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.474 -0.363 . . . . 0.0 111.044 178.223 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -114.42 14.32 17.86 Favored 'General case' 0 CA--C 1.528 0.128 0 CA-C-O 120.498 0.19 . . . . 0.0 111.474 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -94.31 -167.12 36.91 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.565 -0.826 . . . . 0.0 112.762 -179.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.521 ' HB2' ' HB1' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -143.32 154.98 44.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.056 0.455 . . . . 0.0 111.688 -179.186 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.501 HD11 ' HB3' ' A' ' 63' ' ' LEU . 0.3 OUTLIER -117.99 139.99 50.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.121 179.078 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 59.1 p -84.5 -174.55 5.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.784 0.326 . . . . 0.0 111.242 -179.545 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -75.42 -50.95 14.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.086 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -56.73 -31.66 64.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.399 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -73.49 -43.67 59.58 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.548 179.493 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.473 ' CD1' ' OG1' ' A' ' 84' ' ' THR . 24.7 t80 -53.73 -54.42 38.31 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.928 179.627 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.724 ' HA ' HD13 ' A' ' 9' ' ' LEU . 74.7 mt -52.5 -52.27 27.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.559 -179.546 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -57.38 -54.67 44.22 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.871 -179.374 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 19.2 t -70.06 -40.43 78.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 111.875 0.324 . . . . 0.0 111.875 -178.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.473 ' OG1' ' CD1' ' A' ' 80' ' ' PHE . 61.8 m -62.66 -44.14 97.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.875 0.369 . . . . 0.0 110.273 179.721 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -51.82 -48.74 63.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.132 -179.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 13.6 m-80 -59.92 -36.51 77.17 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.762 179.511 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.462 HD22 ' CZ ' ' A' ' 96' ' ' PHE . 0.3 OUTLIER -60.88 -48.43 81.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.349 179.47 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.479 HG23 ' O ' ' A' ' 163' ' ' ARG . 7.9 mt -74.3 -39.23 48.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.066 179.799 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 32.2 m-85 -87.98 -81.33 0.25 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.092 -179.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.43 -158.94 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.792 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 74.34 136.94 0.06 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.976 0.417 . . . . 0.0 110.685 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -73.44 162.34 54.53 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.989 -179.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -57.63 -56.4 22.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.979 0.419 . . . . 0.0 111.093 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.407 ' O ' ' CG ' ' A' ' 98' ' ' ARG . . . -61.62 -11.48 11.66 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.676 0.621 . . . . 0.0 112.676 -179.476 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.02 -45.26 42.99 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.724 0.297 . . . . 0.0 110.87 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.462 ' CZ ' HD22 ' A' ' 87' ' ' LEU . 0.1 OUTLIER -69.7 -41.33 75.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.689 179.851 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 50.3 t30 -69.59 -35.13 75.04 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.084 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.407 ' CG ' ' O ' ' A' ' 94' ' ' ALA . 8.4 mmp_? -62.43 -56.92 13.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.393 -179.572 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.404 HG21 ' CD2' ' A' ' 62' ' ' TYR . 19.5 t -81.34 -35.74 14.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 112.868 0.692 . . . . 0.0 112.868 -178.134 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.574 ' O ' HG22 ' A' ' 103' ' ' VAL . 7.5 tp -88.54 -26.94 21.73 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 119.982 -0.687 . . . . 0.0 111.901 -177.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.511 ' N ' ' HD2' ' A' ' 102' ' ' PRO . . . -47.64 -52.86 14.23 Favored Glycine 0 CA--C 1.525 0.678 0 C-N-CA 120.72 -0.752 . . . . 0.0 113.434 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.511 ' HD2' ' N ' ' A' ' 101' ' ' GLY . 25.6 Cg_endo -63.61 -33.26 67.89 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.633 2.222 . . . . 0.0 114.1 -178.693 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.574 HG22 ' O ' ' A' ' 100' ' ' LEU . 15.1 m -72.48 -41.0 64.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 C-N-CA 120.149 -0.621 . . . . 0.0 111.348 -178.633 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 100' ' ' LEU . 11.5 t -69.03 -37.77 77.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 120.98 0.419 . . . . 0.0 110.011 178.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -57.51 -47.47 81.86 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.734 178.507 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -49.82 -30.24 14.61 Favored Glycine 0 N--CA 1.449 -0.434 0 CA-C-N 115.468 -0.787 . . . . 0.0 112.401 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 84.3 mt -72.85 -41.14 61.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 121.045 0.45 . . . . 0.0 110.418 179.569 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.427 ' O ' ' HB2' ' A' ' 112' ' ' ASP . 44.7 t -63.56 -39.89 87.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.635 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -60.83 -39.78 97.31 Favored Glycine 0 N--CA 1.453 -0.211 0 C-N-CA 120.629 -0.795 . . . . 0.0 112.798 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 8.1 ptm -77.44 -26.14 51.25 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.613 0.206 . . . . 0.0 111.502 -179.17 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . 0.437 ' O ' ' C ' ' A' ' 112' ' ' ASP . 3.1 m -97.81 -87.47 0.33 Allowed 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.632 0.605 . . . . 0.0 112.632 -178.362 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . 0.437 ' C ' ' O ' ' A' ' 111' ' ' CYS . 5.8 t0 15.93 103.0 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 124.235 1.014 . . . . 0.0 112.83 -178.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 26.9 mttt -81.75 -8.68 59.72 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.952 -179.389 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 53.0 p30 -128.64 -0.76 5.48 Favored 'General case' 0 CA--C 1.53 0.193 0 N-CA-C 111.891 0.33 . . . . 0.0 111.891 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . 52.29 61.55 3.15 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.629 0.252 . . . . 0.0 111.073 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 52.1 p30 -121.65 -8.57 9.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.56 179.387 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 80.26 8.34 87.69 Favored Glycine 0 C--N 1.334 0.43 0 C-N-CA 120.823 -0.703 . . . . 0.0 113.137 179.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -121.99 165.73 15.56 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.957 0.408 . . . . 0.0 111.328 -179.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 39.4 mm -109.09 100.38 10.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.398 -179.279 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -86.49 156.05 20.27 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 178.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.541 ' HB2' ' CE2' ' A' ' 142' ' ' PHE . . . -47.22 -35.84 8.09 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 121.109 -0.236 . . . . 0.0 111.474 -179.048 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.51 -32.94 70.61 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.238 179.183 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -77.33 -47.02 21.04 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 179.08 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -56.39 -49.07 75.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.731 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -56.48 -44.69 80.88 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.775 -179.257 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -54.74 -31.98 59.15 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 112.331 0.493 . . . . 0.0 112.331 -179.181 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 13.7 t90 -88.69 -37.32 15.64 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 111.701 0.26 . . . . 0.0 111.701 -178.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.422 HD13 ' HA ' ' A' ' 138' ' ' ALA . 0.2 OUTLIER -61.16 -43.29 99.12 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.063 0.459 . . . . 0.0 110.337 179.731 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . 0.431 ' HA ' ' O ' ' A' ' 133' ' ' MET . 1.6 m -73.31 -28.97 62.39 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.495 179.141 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.22 -36.23 82.97 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.412 179.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.562 HD13 ' H ' ' A' ' 176' ' ' GLY . 21.8 mt -82.92 -4.59 58.37 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.125 0.416 . . . . 0.0 112.125 -178.376 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 110.64 21.83 6.64 Favored Glycine 0 C--N 1.331 0.268 0 C-N-CA 120.024 -1.084 . . . . 0.0 113.655 179.068 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' MET . . . . . 0.431 ' O ' ' HA ' ' A' ' 129' ' ' THR . 7.2 mmt -99.24 155.75 17.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 117.021 0.411 . . . . 0.0 110.072 179.206 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . 0.416 ' CB ' ' OE1' ' A' ' 137' ' ' GLU . 5.7 m -81.73 165.0 21.34 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.68 0.276 . . . . 0.0 110.874 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.06 -22.86 65.83 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.89 0.376 . . . . 0.0 111.151 -179.764 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -80.2 -26.32 39.26 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.138 179.415 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . 0.416 ' OE1' ' CB ' ' A' ' 134' ' ' SER . 2.2 mp0 -73.72 -38.24 64.87 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.635 -179.324 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . 0.422 ' HA ' HD13 ' A' ' 128' ' ' LEU . . . -59.78 -58.7 7.42 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.0 0.428 . . . . 0.0 110.729 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -47.77 -42.34 25.43 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.399 179.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.64 -50.12 47.29 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.78 -179.455 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . 0.584 ' O ' HG23 ' A' ' 145' ' ' VAL . . . -62.88 -37.2 85.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.954 0.407 . . . . 0.0 111.61 -179.153 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' PHE . . . . . 0.541 ' CE2' ' HB2' ' A' ' 121' ' ' ALA . 48.9 t80 -53.71 -60.1 3.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.708 179.504 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -58.1 -34.87 70.66 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.417 -0.811 . . . . 0.0 112.699 -179.418 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -66.47 -34.15 77.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.661 0.267 . . . . 0.0 111.663 -178.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 0.584 HG23 ' O ' ' A' ' 141' ' ' ALA . 23.7 t -84.38 -31.22 7.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 -178.641 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -61.55 78.55 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 121.329 0.585 . . . . 0.0 111.224 -178.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . 0.457 ' N ' ' O ' ' A' ' 145' ' ' VAL . 65.1 m -56.99 -33.67 67.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.304 -0.862 . . . . 0.0 112.705 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 33.4 p30 -97.76 6.1 48.32 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -178.199 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 40.61 31.85 0.44 Allowed Glycine 0 C--N 1.333 0.392 0 C-N-CA 120.973 -0.632 . . . . 0.0 113.456 179.408 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 48.6 p-10 -88.68 -5.01 58.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.571 0.224 . . . . 0.0 111.086 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 88.49 3.96 77.39 Favored Glycine 0 C--N 1.334 0.433 0 C-N-CA 120.801 -0.714 . . . . 0.0 113.265 179.097 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -134.45 135.41 42.5 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 117.24 0.52 . . . . 0.0 110.899 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.459 HD23 ' HA ' ' A' ' 153' ' ' LEU . 11.6 mt -103.51 100.57 10.43 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.395 179.283 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 6.1 m -89.69 171.23 9.8 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.062 0.458 . . . . 0.0 111.938 -179.144 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 64.3 mt -49.45 -45.36 46.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.659 -0.7 . . . . 0.0 111.326 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.02 -51.67 68.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.108 0.48 . . . . 0.0 111.042 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -63.57 -19.8 65.12 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.732 -0.667 . . . . 0.0 112.643 -178.619 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.65 -29.99 65.24 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.169 179.778 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.586 ' O ' HG12 ' A' ' 162' ' ' VAL . 0.5 OUTLIER -77.26 -37.77 52.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.691 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 23.7 m -52.48 -25.84 11.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.35 179.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 161' ' ' ALA . . . . . 0.87 ' HB1' ' HB3' ' A' ' 173' ' ' GLU . . . -67.28 -64.08 0.93 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.625 178.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 162' ' ' VAL . . . . . 0.586 HG12 ' O ' ' A' ' 159' ' ' LEU . 7.7 p -53.37 -21.95 4.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.921 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 163' ' ' ARG . . . . . 0.479 ' O ' HG23 ' A' ' 88' ' ' ILE . 0.8 OUTLIER -39.0 -31.55 0.07 Allowed 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 -179.011 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . 0.407 ' O ' ' HG3' ' A' ' 169' ' ' ARG . 1.0 OUTLIER -162.69 139.66 7.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.023 0.439 . . . . 0.0 111.399 179.784 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 165' ' ' PHE . . . . . 0.465 ' O ' ' CD2' ' A' ' 165' ' ' PHE . 49.3 p90 -178.48 34.91 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.591 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . 0.941 ' CE1' HD11 ' A' ' 9' ' ' LEU . 16.3 m170 -100.71 -55.78 2.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.256 -179.612 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 167' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -89.2 64.93 7.15 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.061 -179.599 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . 51.57 91.26 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.334 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 169' ' ' ARG . . . . . 0.649 ' HD3' HD23 ' A' ' 170' ' ' LEU . 0.0 OUTLIER -78.2 -77.11 0.17 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.689 0.28 . . . . 0.0 111.094 -179.737 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 170' ' ' LEU . . . . . 0.649 HD23 ' HD3' ' A' ' 169' ' ' ARG . 0.0 OUTLIER -166.18 -88.86 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.887 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -121.5 35.59 4.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.718 0.294 . . . . 0.0 110.889 -179.492 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 16.9 t 66.41 101.21 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.753 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 173' ' ' GLU . . . . . 0.87 ' HB3' ' HB1' ' A' ' 161' ' ' ALA . 18.5 mp0 -61.33 -83.4 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.101 -179.791 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 174' ' ' LEU . . . . . 0.457 HD12 ' CG2' ' A' ' 162' ' ' VAL . 2.5 mt -60.13 -173.35 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.716 179.747 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 175' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -52.98 171.6 0.06 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.529 179.627 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 176' ' ' GLY . . . . . 0.562 ' H ' HD13 ' A' ' 131' ' ' LEU . . . . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.392 -1.227 . . . . 0.0 112.504 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 500' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 501' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 502' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 7.0 m . . . . . 0 N--CA 1.487 1.412 0 CA-C-O 120.898 0.38 . . . . 0.0 111.239 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.402 ' O ' ' HB2' ' A' ' 3' ' ' ALA . 0.2 OUTLIER 69.3 -65.79 0.28 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.182 179.872 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.402 ' HB2' ' O ' ' A' ' 2' ' ' THR . . . 178.64 173.79 0.68 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.937 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.1 mp -80.62 -29.6 11.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.226 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.06 -33.53 76.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.03 -0.532 . . . . 0.0 112.403 -179.182 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.11 -49.17 78.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.035 0.445 . . . . 0.0 110.708 -179.821 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -54.33 -46.94 72.98 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.331 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.409 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -62.36 -48.35 80.16 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.792 -179.232 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.531 HD13 HG23 ' A' ' 81' ' ' ILE . 35.9 mt -74.98 -39.38 61.31 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.924 -0.31 . . . . 0.0 111.522 -178.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.26 -40.02 76.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.829 0.347 . . . . 0.0 110.715 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.423 ' O ' ' N ' ' A' ' 15' ' ' ARG . 11.1 mtpt -73.31 -46.25 50.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.122 -179.627 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.414 ' O ' ' CE3' ' A' ' 16' ' ' TRP . 2.2 mmp_? -46.91 -28.67 1.68 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.768 0.318 . . . . 0.0 111.022 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -74.46 -59.33 2.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.463 179.504 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -68.96 -14.63 63.16 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.844 179.454 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.423 ' N ' ' O ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -74.06 -22.02 59.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.075 -179.827 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.414 ' CE3' ' O ' ' A' ' 12' ' ' ARG . 1.7 m0 -99.01 -96.74 0.23 Allowed 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 111.806 0.299 . . . . 0.0 111.806 -179.663 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 40.83 72.89 0.14 Allowed 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 121.188 0.518 . . . . 0.0 111.526 -179.301 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -55.62 -50.69 69.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.765 -179.065 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.5 p-10 -98.16 -15.33 19.95 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 111.685 0.254 . . . . 0.0 111.685 -179.277 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 81.11 49.0 5.77 Favored Glycine 0 CA--C 1.518 0.246 0 C-N-CA 120.54 -0.838 . . . . 0.0 112.126 -179.576 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.0 p30 -95.44 -12.49 25.84 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 111.751 0.278 . . . . 0.0 111.751 -179.568 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 82.06 21.3 61.28 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.302 -179.598 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -158.19 179.71 8.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.631 0.253 . . . . 0.0 110.498 179.641 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -114.46 116.86 29.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.87 0.367 . . . . 0.0 110.449 179.374 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -116.29 170.78 8.27 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.583 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -70.15 -39.33 75.42 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.583 179.702 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.2 -22.48 51.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.829 179.394 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -70.87 -27.64 63.98 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.012 179.617 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.464 ' CE2' HD12 ' A' ' 59' ' ' LEU . 65.4 m-85 -76.97 -36.02 56.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.739 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -65.39 -40.98 94.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.51 179.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.8 tptt -66.05 -43.69 86.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.866 0.365 . . . . 0.0 110.308 179.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -50.5 -68.08 0.2 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.268 179.61 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.415 ' CB ' ' HG3' ' A' ' 53' ' ' LYS . . . -43.06 -46.03 5.48 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.95 179.507 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -64.61 -54.46 31.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.46 179.518 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 27.6 t60 -56.37 -39.41 72.88 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.1 179.457 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.437 ' O ' ' HB3' ' A' ' 39' ' ' ALA . 56.7 mt -63.1 -54.75 29.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.494 179.245 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -43.01 -46.35 5.48 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.716 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.61 -35.57 74.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.914 0.388 . . . . 0.0 110.086 179.349 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.437 ' HB3' ' O ' ' A' ' 36' ' ' ILE . . . -62.11 -33.52 74.61 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 178.716 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -89.7 1.41 56.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.463 178.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 65.08 -157.93 45.88 Favored Glycine 0 N--CA 1.446 -0.673 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.374 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 23.2 mtmt 74.37 -155.29 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.659 0.266 . . . . 0.0 111.214 179.383 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.401 ' HB2' ' HB2' ' A' ' 46' ' ' ALA . 1.0 OUTLIER -68.81 -162.31 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.928 0.394 . . . . 0.0 111.727 -178.898 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.824 ' O ' HG11 ' A' ' 49' ' ' VAL . . . -142.19 -54.26 0.43 Allowed 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 178.107 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -90.87 30.41 6.22 Favored Glycine 0 CA--C 1.519 0.3 0 CA-C-N 114.911 -1.04 . . . . 0.0 112.266 179.56 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.401 ' HB2' ' HB2' ' A' ' 43' ' ' ASP . . . -68.7 -169.55 0.17 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.765 0.283 . . . . 0.0 110.811 179.445 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -87.6 -45.25 10.59 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.813 0.34 . . . . 0.0 111.186 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -58.79 -27.32 64.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.053 -0.521 . . . . 0.0 112.181 -178.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.824 HG11 ' O ' ' A' ' 44' ' ' ALA . 5.6 p -76.66 -42.4 34.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.594 -0.275 . . . . 0.0 110.554 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -60.93 -42.59 98.45 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 178.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 27.9 m -58.77 -55.82 30.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.832 178.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 47.2 tp -50.42 -60.85 2.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.729 -0.668 . . . . 0.0 110.459 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.415 ' HG3' ' CB ' ' A' ' 33' ' ' ALA . 35.8 mtpt -50.86 -36.17 36.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.61 -0.268 . . . . 0.0 110.784 179.566 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -59.35 -41.52 89.38 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.874 0.369 . . . . 0.0 110.232 179.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.05 -46.71 67.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.378 178.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -55.43 -33.71 63.81 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.543 179.515 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -63.17 -51.31 56.0 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.264 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -60.12 -28.75 67.01 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.676 -0.774 . . . . 0.0 112.554 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.64 HD13 ' C ' ' A' ' 59' ' ' LEU . 3.1 tm? -57.48 -39.35 76.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.728 0.299 . . . . 0.0 110.281 179.778 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.417 ' O ' ' N ' ' A' ' 63' ' ' LEU . 47.8 t80 -62.55 -43.9 97.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.399 179.421 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.405 ' OD1' ' N ' ' A' ' 61' ' ' ASP . 0.8 OUTLIER -41.37 -50.33 3.79 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.535 -179.625 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 15.2 t80 -58.05 -33.24 68.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.839 0.352 . . . . 0.0 110.805 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.417 ' N ' ' O ' ' A' ' 60' ' ' PHE . 13.8 mt -67.08 -57.22 7.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.037 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.62 ' HB1' ' O ' ' A' ' 69' ' ' VAL . . . -55.82 -48.33 75.62 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.516 179.738 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 37.3 mtmt -62.54 -53.35 56.08 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.683 -179.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 43.9 mm-40 -61.52 -40.1 93.41 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.808 179.601 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -76.54 -26.74 55.5 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.82 0.343 . . . . 0.0 111.601 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 103.65 4.09 46.19 Favored Glycine 0 CA--C 1.521 0.455 0 C-N-CA 120.782 -0.723 . . . . 0.0 114.139 178.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.62 ' O ' ' HB1' ' A' ' 64' ' ' ALA . 25.5 m -106.0 176.16 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 117.153 0.477 . . . . 0.0 110.942 179.544 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -85.77 177.51 49.74 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 121.004 -0.617 . . . . 0.0 113.853 -178.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.16 -14.03 52.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.136 -0.532 . . . . 0.0 111.082 178.416 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.8 p30 -111.23 14.93 21.7 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 111.608 0.225 . . . . 0.0 111.608 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -94.26 -166.04 36.65 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.503 -0.855 . . . . 0.0 112.641 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 85.3 p -142.06 154.8 45.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.871 0.367 . . . . 0.0 111.361 -179.346 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -117.83 138.4 52.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.297 179.35 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 12.0 p -87.67 178.79 6.65 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.219 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -69.85 -48.24 59.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.133 -179.563 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.93 -35.69 71.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.461 179.792 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.1 -41.85 61.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.036 0.446 . . . . 0.0 110.042 179.215 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 23.1 t80 -52.31 -54.34 32.82 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.489 179.19 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.531 HG23 HD13 ' A' ' 9' ' ' LEU . 79.0 mt -54.76 -51.11 55.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.39 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 58.1 ttt180 -55.74 -54.98 37.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.64 -179.376 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 13.1 t -70.57 -34.61 57.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 111.882 0.327 . . . . 0.0 111.882 -179.218 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 75.5 m -63.03 -43.35 98.92 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.055 0.455 . . . . 0.0 110.087 179.652 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -49.58 -51.41 37.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.799 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -60.7 -37.63 82.3 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.198 -0.456 . . . . 0.0 112.011 -179.45 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 10.4 mt -56.37 -52.6 63.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.822 0.344 . . . . 0.0 111.011 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.443 HG13 ' NE2' ' A' ' 166' ' ' HIS . 49.6 mm -72.54 -38.38 59.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.439 -179.705 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -92.29 -80.05 0.37 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.405 -179.626 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -59.73 -163.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.945 0.402 . . . . 0.0 111.229 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 69.56 -81.62 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.994 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 134.9 174.73 13.55 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.597 -0.811 . . . . 0.0 112.965 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -58.36 -57.43 12.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.108 0.48 . . . . 0.0 111.483 -179.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.44 ' O ' ' HB2' ' A' ' 98' ' ' ARG . . . -58.87 -14.7 9.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.668 -0.696 . . . . 0.0 112.515 -178.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 16.5 m -76.92 -43.08 36.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.673 0.273 . . . . 0.0 111.228 -179.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 22.7 t80 -71.64 -39.51 70.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.782 0.325 . . . . 0.0 111.782 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 42.0 t-20 -69.52 -34.18 73.9 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.654 -179.579 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.44 ' HB2' ' O ' ' A' ' 94' ' ' ALA . 0.4 OUTLIER -60.46 -66.18 0.57 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.886 0.374 . . . . 0.0 111.993 -179.582 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.416 HG12 HD23 ' A' ' 59' ' ' LEU . 42.7 t -72.25 -35.0 51.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 113.083 0.772 . . . . 0.0 113.083 -178.029 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.916 HD13 ' HB ' ' A' ' 103' ' ' VAL . 0.2 OUTLIER -89.58 -26.01 21.04 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 119.707 -0.797 . . . . 0.0 112.498 -177.721 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -43.35 -60.83 3.01 Favored Glycine 0 CA--C 1.522 0.519 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.579 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_exo -61.4 -16.59 48.18 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.791 2.328 . . . . 0.0 112.439 179.515 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.916 ' HB ' HD13 ' A' ' 100' ' ' LEU . 80.3 t -80.06 -51.59 15.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.191 -179.574 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.623 ' O ' HG23 ' A' ' 108' ' ' VAL . 4.9 t -68.66 -32.72 56.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.981 0.419 . . . . 0.0 110.932 179.351 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.07 -56.74 16.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.649 179.664 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -45.37 -38.87 7.03 Favored Glycine 0 CA--C 1.518 0.279 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.199 179.584 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 17.7 mt -75.16 -38.17 41.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.756 0.312 . . . . 0.0 111.139 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.623 HG23 ' O ' ' A' ' 104' ' ' VAL . 97.0 t -63.52 -32.84 58.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.025 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -71.82 -27.79 70.09 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.592 -0.813 . . . . 0.0 112.35 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.27 -27.47 42.29 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.631 0.253 . . . . 0.0 110.441 179.747 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -86.73 -41.39 14.18 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 113.025 0.75 . . . . 0.0 113.025 -177.528 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . 0.436 ' HA ' ' HG2' ' A' ' 123' ' ' GLU . 11.7 m-20 -63.24 -72.71 0.13 Allowed 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.453 -0.499 . . . . 0.0 110.445 -179.206 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.427 ' HB2' ' O ' ' A' ' 112' ' ' ASP . 0.8 OUTLIER 81.83 -2.42 1.56 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.067 -178.252 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . 0.585 ' O ' ' HB3' ' A' ' 115' ' ' ALA . 2.4 p30 -105.62 -18.63 14.02 Favored 'General case' 0 CA--C 1.528 0.131 0 CA-C-N 116.625 -0.262 . . . . 0.0 110.533 179.487 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.585 ' HB3' ' O ' ' A' ' 114' ' ' ASN . . . 78.8 43.02 0.08 Allowed 'General case' 0 C--O 1.232 0.151 0 N-CA-C 112.662 0.615 . . . . 0.0 112.662 179.088 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 46.6 p-10 -105.83 -18.67 13.98 Favored 'General case' 0 N--CA 1.463 0.179 0 C-N-CA 121.034 -0.266 . . . . 0.0 110.975 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 79.43 12.21 84.05 Favored Glycine 0 CA--C 1.521 0.462 0 C-N-CA 120.828 -0.701 . . . . 0.0 113.479 179.537 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -124.78 163.91 21.11 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 117.315 0.557 . . . . 0.0 111.828 -179.641 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.542 HG13 HD11 ' A' ' 158' ' ' LEU . 31.9 mm -110.34 101.17 12.17 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.186 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.404 -179.452 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -85.71 158.81 19.95 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 179.384 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.472 ' HB2' ' CZ ' ' A' ' 142' ' ' PHE . . . -48.48 -38.46 20.1 Favored 'General case' 0 C--N 1.332 -0.161 0 C-N-CA 121.143 -0.223 . . . . 0.0 111.286 -178.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.6 -27.3 65.92 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 178.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.436 ' HG2' ' HA ' ' A' ' 112' ' ' ASP . 25.1 mt-10 -85.97 -46.6 10.38 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.348 178.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . 0.487 ' CE2' HD11 ' A' ' 128' ' ' LEU . 3.9 t80 -55.08 -50.7 68.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.955 0.407 . . . . 0.0 110.41 179.664 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.562 ' HA ' ' HB1' ' A' ' 138' ' ' ALA . . . -56.45 -41.89 77.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.381 179.639 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -55.36 -34.95 64.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.471 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 13.1 t90 -83.39 -44.21 15.07 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 112.033 0.382 . . . . 0.0 112.033 -178.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.487 HD11 ' CE2' ' A' ' 124' ' ' PHE . 0.3 OUTLIER -59.64 -43.71 93.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.876 0.37 . . . . 0.0 111.015 -179.43 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . 0.42 ' HA ' ' O ' ' A' ' 133' ' ' MET . 69.0 p -70.46 -27.62 64.37 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.076 179.372 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.29 -36.45 84.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.331 179.228 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 66.7 mt -85.1 0.56 51.2 Favored 'General case' 0 CA--C 1.531 0.22 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -178.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 108.41 24.63 6.11 Favored Glycine 0 C--N 1.332 0.351 0 C-N-CA 120.159 -1.02 . . . . 0.0 113.874 178.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' MET . . . . . 0.42 ' O ' ' HA ' ' A' ' 129' ' ' THR . 23.5 mmt -101.68 154.87 18.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 117.366 0.583 . . . . 0.0 110.62 179.467 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 1.3 p -82.39 169.35 16.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.738 0.304 . . . . 0.0 111.101 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.87 -22.59 61.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.434 -179.552 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -80.69 -26.34 37.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.946 179.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -75.13 -44.97 44.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.818 -179.409 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . 0.562 ' HB1' ' HA ' ' A' ' 125' ' ' ALA . . . -57.16 -52.07 66.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.817 0.342 . . . . 0.0 110.664 -179.619 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -50.93 -43.34 60.08 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.981 179.435 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.19 -46.5 64.46 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.657 -179.826 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . 0.5 ' O ' HG23 ' A' ' 145' ' ' VAL . . . -63.13 -37.15 86.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.619 -179.337 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' PHE . . . . . 0.472 ' CZ ' ' HB2' ' A' ' 121' ' ' ALA . 89.6 t80 -52.85 -61.02 2.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.393 179.488 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -55.51 -34.6 64.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.838 -179.348 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' GLN . . . . . 0.445 ' OE1' HD21 ' A' ' 170' ' ' LEU . 31.4 mt-30 -67.92 -31.07 70.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.463 -179.252 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 141' ' ' ALA . 59.8 t -85.02 -35.14 9.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 -178.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.85 77.95 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.137 0.494 . . . . 0.0 111.367 -179.142 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . 0.453 ' N ' ' O ' ' A' ' 145' ' ' VAL . 2.2 m -56.83 -33.09 66.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.708 -0.678 . . . . 0.0 112.095 179.643 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 56.5 p30 -97.76 4.86 49.79 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.442 0.534 . . . . 0.0 112.442 -178.368 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 40.7 36.95 1.17 Allowed Glycine 0 CA--C 1.521 0.449 0 C-N-CA 120.998 -0.62 . . . . 0.0 113.214 179.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 45.8 p-10 -94.18 -6.92 43.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.519 0.199 . . . . 0.0 111.528 -179.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 93.78 0.46 66.52 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.575 -0.821 . . . . 0.0 113.548 179.133 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -132.74 134.61 44.97 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 117.435 0.618 . . . . 0.0 110.509 179.54 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.455 ' HG ' ' CE1' ' A' ' 142' ' ' PHE . 56.8 mt -95.58 104.1 16.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.305 179.278 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 9.7 m -88.11 156.6 19.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.929 0.395 . . . . 0.0 111.796 -178.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -44.41 -41.18 6.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.928 -179.408 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.78 -56.52 19.58 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.805 0.336 . . . . 0.0 111.102 -179.531 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -67.89 -14.64 63.13 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.724 0.638 . . . . 0.0 112.724 -179.337 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . 0.542 HD11 HG13 ' A' ' 119' ' ' ILE . 0.6 OUTLIER -70.41 -44.48 67.84 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 120.892 0.377 . . . . 0.0 111.056 -179.946 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.625 ' N ' HD23 ' A' ' 159' ' ' LEU . 0.3 OUTLIER -72.28 -44.51 62.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.459 -179.22 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 81.1 p -53.75 -44.35 69.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.895 0.379 . . . . 0.0 111.035 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 161' ' ' ALA . . . . . 0.653 ' HB1' HG11 ' A' ' 172' ' ' VAL . . . -55.15 -64.79 0.73 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.465 179.733 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 162' ' ' VAL . . . . . 0.522 HG12 ' O ' ' A' ' 159' ' ' LEU . 11.2 p -52.16 -33.84 17.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 120.971 0.415 . . . . 0.0 110.614 179.346 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 2.4 ttt180 -52.26 -35.38 49.84 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.421 179.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 33.6 m-20 -87.92 72.07 9.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.969 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 165' ' ' PHE . . . . . 0.406 ' HA ' ' HA ' ' A' ' 169' ' ' ARG . 2.4 p90 -137.39 12.85 3.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.542 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . 0.443 ' NE2' HG13 ' A' ' 88' ' ' ILE . 17.2 m170 -90.74 -83.4 0.26 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.901 0.381 . . . . 0.0 110.668 179.791 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 167' ' ' PHE . . . . . 0.459 ' O ' ' CD2' ' A' ' 167' ' ' PHE . 50.8 p90 -92.53 109.38 20.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.48 179.681 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 168' ' ' GLY . . . . . 0.406 ' O ' ' HG2' ' A' ' 169' ' ' ARG . . . 93.06 -40.11 2.87 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.239 -179.461 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 169' ' ' ARG . . . . . 0.406 ' HG2' ' O ' ' A' ' 168' ' ' GLY . 29.3 ptt-85 44.26 -162.97 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.951 0.405 . . . . 0.0 111.703 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 170' ' ' LEU . . . . . 0.445 HD21 ' OE1' ' A' ' 144' ' ' GLN . 5.9 tp -161.07 -174.6 4.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.058 -179.497 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 -77.36 -4.8 47.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.107 179.573 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 172' ' ' VAL . . . . . 0.653 HG11 ' HB1' ' A' ' 161' ' ' ALA . 62.3 t -68.61 -80.95 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.528 0.107 0 CA-C-O 120.6 0.238 . . . . 0.0 110.957 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 44.07 65.68 0.99 Allowed 'General case' 0 CA--C 1.529 0.163 0 CA-C-O 120.72 0.295 . . . . 0.0 111.575 179.511 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 174' ' ' LEU . . . . . 0.434 ' CB ' ' HB ' ' A' ' 162' ' ' VAL . 7.2 tt -48.38 -47.59 37.34 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.074 0.464 . . . . 0.0 110.737 179.632 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 175' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.56 116.25 8.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.759 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.399 -1.223 . . . . 0.0 112.421 -179.951 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 500' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 501' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 502' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.84 0.352 . . . . 0.0 111.207 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.419 ' O ' ' HB3' ' A' ' 3' ' ' ALA . 2.6 m -139.42 -67.11 0.45 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.035 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.419 ' HB3' ' O ' ' A' ' 2' ' ' THR . . . 66.78 174.64 0.25 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.0 0.428 . . . . 0.0 111.141 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.5 mp -78.78 -24.12 13.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.002 179.372 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.13 -45.42 88.65 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.904 -0.589 . . . . 0.0 112.194 -179.273 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.7 t -58.27 -58.08 10.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.921 0.391 . . . . 0.0 111.007 -179.558 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -46.66 -52.55 13.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.331 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.12 -44.62 96.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.92 -178.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.799 HD13 HG23 ' A' ' 81' ' ' ILE . 8.4 mt -74.85 -37.05 62.34 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.874 -0.331 . . . . 0.0 111.648 -178.459 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.2 tmtm? -60.72 -63.01 1.45 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.827 0.346 . . . . 0.0 110.712 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 37.7 mttp -50.98 -43.47 60.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.938 0.399 . . . . 0.0 110.701 179.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.402 ' NH1' ' OE2' ' A' ' 173' ' ' GLU . 0.9 OUTLIER -45.87 -37.28 6.09 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.303 179.833 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -72.96 -54.74 7.86 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.405 -179.491 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.22 -16.59 63.64 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.62 -179.794 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.7 ttt-85 -74.14 -19.42 60.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.53 0.205 . . . . 0.0 111.538 -179.609 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 11.6 m0 -104.94 -93.14 0.36 Allowed 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 116.798 -0.183 . . . . 0.0 110.991 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 39.96 79.72 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 121.049 0.452 . . . . 0.0 111.732 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.414 ' CD2' ' HB3' ' A' ' 31' ' ' LYS . 80.9 m-85 -56.22 -52.27 65.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.847 -179.224 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 27.8 p-10 -98.68 -13.97 20.04 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 111.832 0.308 . . . . 0.0 111.832 -179.234 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.18 43.19 21.81 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.448 -0.882 . . . . 0.0 112.193 -179.472 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.9 p30 -92.01 -9.09 44.13 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 111.651 0.241 . . . . 0.0 111.651 -179.625 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 81.12 16.88 73.39 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.415 -0.898 . . . . 0.0 112.413 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -153.59 -179.0 7.39 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.571 0.224 . . . . 0.0 110.504 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 78.4 mt -121.4 122.67 40.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.886 0.374 . . . . 0.0 110.92 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -117.86 172.12 7.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.112 0.482 . . . . 0.0 110.683 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.442 ' HA ' ' CD2' ' A' ' 60' ' ' PHE . 8.0 ttp85 -64.36 -30.49 71.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.001 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.52 -18.92 61.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.313 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -73.63 -30.98 63.29 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 110.183 -0.303 . . . . 0.0 110.183 179.435 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.497 ' CZ ' HD11 ' A' ' 63' ' ' LEU . 50.7 m-85 -76.27 -37.08 58.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.923 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -65.29 -35.51 81.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.513 179.67 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.414 ' HB3' ' CD2' ' A' ' 18' ' ' PHE . 8.3 mttt -64.73 -40.28 95.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.035 0.445 . . . . 0.0 109.982 179.4 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.474 ' HG2' ' CZ ' ' A' ' 56' ' ' PHE . 2.6 tt0 -56.39 -18.44 11.04 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.32 179.62 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.425 ' HB3' ' HG2' ' A' ' 53' ' ' LYS . . . -91.25 -50.54 5.77 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.977 0.418 . . . . 0.0 111.065 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.401 ' HG3' ' HD2' ' A' ' 53' ' ' LYS . 18.3 mt-30 -61.08 -51.56 68.65 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.855 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -54.07 -25.26 20.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.932 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.557 ' O ' ' HB3' ' A' ' 39' ' ' ALA . 16.5 mm -85.23 -50.43 14.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.355 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -45.38 -49.16 13.28 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.781 -0.19 . . . . 0.0 111.099 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -58.73 -34.44 71.37 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 178.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.557 ' HB3' ' O ' ' A' ' 36' ' ' ILE . . . -60.56 -31.46 70.58 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 178.404 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -93.94 1.06 56.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.876 179.111 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.406 ' O ' ' HB3' ' A' ' 42' ' ' LYS . . . 59.1 -154.37 29.08 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.979 -0.629 . . . . 0.0 112.889 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.406 ' HB3' ' O ' ' A' ' 41' ' ' GLY . 4.9 ttmt 74.95 -56.49 0.63 Allowed 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 122.389 0.276 . . . . 0.0 111.471 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.531 ' CB ' ' HB2' ' A' ' 46' ' ' ALA . 0.1 OUTLIER -164.67 -164.15 0.79 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.128 0.49 . . . . 0.0 111.931 -179.076 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.73 ' O ' HG11 ' A' ' 49' ' ' VAL . . . -140.85 -57.1 0.51 Allowed 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 177.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -95.96 25.65 24.36 Favored Glycine 0 N--CA 1.452 -0.246 0 CA-C-N 114.72 -1.127 . . . . 0.0 111.771 179.231 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.531 ' HB2' ' CB ' ' A' ' 43' ' ' ASP . . . -66.36 -172.04 0.14 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.927 0.394 . . . . 0.0 111.188 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -73.05 -53.25 11.58 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.16 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -59.05 -27.75 65.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.952 -179.056 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.73 HG11 ' O ' ' A' ' 44' ' ' ALA . 17.1 t -77.26 -44.78 30.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 C-N-CA 120.866 -0.334 . . . . 0.0 110.215 179.517 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.8 tp60 -60.04 -43.35 95.41 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 178.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 85.6 m -57.68 -56.2 25.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.97 179.115 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.538 HD13 ' HA3' ' A' ' 106' ' ' GLY . 51.5 tp -50.63 -56.22 12.84 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.43 ' HB3' ' NZ ' ' A' ' 53' ' ' LYS . 9.7 mtpm? -50.75 -42.06 57.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.786 0.327 . . . . 0.0 110.278 178.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -57.81 -44.7 86.56 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.027 179.551 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.82 -44.26 77.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.368 179.2 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.474 ' CZ ' ' HG2' ' A' ' 32' ' ' GLU . 0.2 OUTLIER -57.72 -31.8 66.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.417 179.652 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -68.76 -48.72 47.48 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.059 179.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -54.98 -36.79 61.16 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.895 -0.669 . . . . 0.0 112.549 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.747 HD13 HG21 ' A' ' 103' ' ' VAL . 1.2 tt -58.55 -35.31 72.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.707 0.289 . . . . 0.0 110.27 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.442 ' CD2' ' HA ' ' A' ' 26' ' ' ARG . 57.6 t80 -60.2 -47.91 83.96 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.649 -0.501 . . . . 0.0 109.649 179.181 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -42.0 -51.03 4.57 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.088 179.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -57.37 -36.06 70.75 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.043 0.449 . . . . 0.0 110.466 179.48 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.497 HD11 ' CZ ' ' A' ' 29' ' ' PHE . 28.0 mt -65.1 -56.28 13.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.297 179.427 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.449 ' HA ' ' CG2' ' A' ' 69' ' ' VAL . . . -56.07 -44.64 79.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.199 179.747 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.88 -54.65 27.52 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.001 0.429 . . . . 0.0 110.849 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -62.44 -39.69 94.17 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.743 179.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -77.49 -27.11 51.77 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.867 0.365 . . . . 0.0 111.302 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 64' ' ' ALA . . . 77.33 68.47 1.51 Allowed Glycine 0 CA--C 1.519 0.295 0 C-N-CA 120.914 -0.66 . . . . 0.0 113.911 178.785 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.478 HG23 ' H ' ' A' ' 70' ' ' GLY . 0.0 OUTLIER -124.66 -86.7 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.66 0.23 . . . . 0.0 111.355 179.898 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.55 ' O ' ' CB ' ' A' ' 71' ' ' SER . . . 178.4 -22.81 0.05 OUTLIER Glycine 0 CA--C 1.523 0.58 0 C-N-CA 119.659 -1.258 . . . . 0.0 114.632 -179.651 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.55 ' CB ' ' O ' ' A' ' 70' ' ' GLY . 22.7 t 114.18 -27.15 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.252 1.021 . . . . 0.0 109.745 -178.634 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -110.6 10.62 22.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.082 179.465 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -94.2 -162.86 35.65 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.643 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.4 p -142.79 156.37 44.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.027 0.441 . . . . 0.0 111.503 -179.336 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.5 mt -118.59 142.11 47.94 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.667 179.576 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 4.3 p -86.61 -170.52 3.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.456 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -75.71 -47.55 25.69 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.371 179.384 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -60.29 -31.69 70.49 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.265 179.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.491 ' O ' HG23 ' A' ' 83' ' ' VAL . 2.0 mp0 -73.22 -44.61 59.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.007 0.432 . . . . 0.0 110.903 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -52.79 -52.69 55.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.892 179.561 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.799 HG23 HD13 ' A' ' 9' ' ' LEU . 36.1 mt -53.28 -54.22 19.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.671 -0.695 . . . . 0.0 112.015 -179.242 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.42 -49.82 73.43 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.859 -179.209 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 79' ' ' GLN . 21.9 t -71.69 -48.94 49.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 N-CA-C 112.968 0.729 . . . . 0.0 112.968 -178.474 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 3.9 t -59.01 -41.04 86.73 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 121.049 -0.26 . . . . 0.0 111.199 -178.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.413 ' O ' ' HB2' ' A' ' 89' ' ' PHE . 2.7 mt-10 -63.28 -42.05 99.05 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -179.051 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.425 ' O ' ' HB2' ' A' ' 90' ' ' GLU . 1.2 t-20 -55.17 -41.09 71.42 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.229 0.455 . . . . 0.0 112.229 -178.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 9.2 mt -59.52 -57.04 14.71 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.809 0.338 . . . . 0.0 111.704 -179.51 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 3.1 mt -73.17 -36.86 51.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 N-CA-C 112.708 0.633 . . . . 0.0 112.708 -178.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.413 ' HB2' ' O ' ' A' ' 85' ' ' GLU . 11.4 m-85 -89.68 -70.25 0.67 Allowed 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.173 0.435 . . . . 0.0 112.173 -178.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.425 ' HB2' ' O ' ' A' ' 86' ' ' ASN . 0.0 OUTLIER -41.58 -79.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.344 0.498 . . . . 0.0 112.344 -178.667 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.5 175.11 10.81 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 112.21 0.448 . . . . 0.0 112.21 -178.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -89.23 -157.07 32.52 Favored Glycine 0 C--N 1.334 0.426 0 C-N-CA 121.068 -0.587 . . . . 0.0 113.406 -179.262 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -56.53 -39.77 73.92 Favored 'General case' 0 N--CA 1.462 0.166 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 -179.188 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -52.92 -25.85 13.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.908 -178.466 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.3 p -82.38 -52.65 6.69 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.038 179.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.637 ' CZ ' HD22 ' A' ' 100' ' ' LEU . 3.4 t80 -71.7 -39.26 70.3 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.845 -179.58 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.411 ' O ' ' N ' ' A' ' 101' ' ' GLY . 33.2 t-20 -69.17 -36.14 77.05 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.555 -179.381 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 -63.19 -65.92 0.62 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.846 0.355 . . . . 0.0 111.638 -179.161 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 9.8 p -66.53 -39.64 84.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 112.658 0.614 . . . . 0.0 112.658 -178.201 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.637 HD22 ' CZ ' ' A' ' 96' ' ' PHE . 7.4 tp -89.87 -23.97 21.5 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 112.819 0.674 . . . . 0.0 112.819 -177.598 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 97' ' ' ASN . . . -44.38 -66.21 1.45 Allowed Glycine 0 CA--C 1.521 0.431 0 C-N-CA 120.519 -0.848 . . . . 0.0 113.212 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -54.09 -18.49 13.7 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.727 2.285 . . . . 0.0 112.68 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.747 HG21 HD13 ' A' ' 59' ' ' LEU . 43.7 t -77.61 -46.05 27.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 C-N-CA 120.765 -0.374 . . . . 0.0 111.299 -179.539 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.421 ' O ' HG23 ' A' ' 108' ' ' VAL . 47.3 t -70.46 -36.32 65.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 121.022 0.439 . . . . 0.0 110.702 179.432 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.472 ' CG ' HD11 ' A' ' 155' ' ' LEU . 16.9 mtpt -57.5 -52.53 65.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.772 179.31 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . 0.538 ' HA3' HD13 ' A' ' 52' ' ' LEU . . . -47.56 -31.2 6.87 Favored Glycine 0 C--N 1.331 0.262 0 CA-C-N 115.829 -0.623 . . . . 0.0 112.818 -179.8 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.438 HD13 ' CZ2' ' A' ' 127' ' ' TRP . 46.9 mt -75.39 -39.66 41.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.909 0.385 . . . . 0.0 110.69 179.794 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.424 HG12 ' CG ' ' A' ' 112' ' ' ASP . 10.8 t -62.76 -36.32 74.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.344 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -59.81 -41.08 97.47 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.536 -0.84 . . . . 0.0 112.555 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 1.3 mtp -79.14 -25.07 42.93 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 121.376 -0.13 . . . . 0.0 111.183 -179.519 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 42.9 t -97.15 -26.11 15.07 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 113.328 0.862 . . . . 0.0 113.328 -177.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . 0.424 ' CG ' HG12 ' A' ' 108' ' ' VAL . 5.5 m-20 -62.27 104.88 0.53 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.151 0.5 . . . . 0.0 111.191 -178.453 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 2.8 mtpt -87.5 -21.66 25.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.939 179.373 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -107.55 8.24 29.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.617 -0.265 . . . . 0.0 111.409 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . 40.51 61.63 1.56 Allowed 'General case' 0 N--CA 1.463 0.215 0 N-CA-C 112.136 0.421 . . . . 0.0 112.136 179.539 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -120.06 -10.15 9.48 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 116.67 -0.241 . . . . 0.0 111.421 179.433 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 79.27 9.55 86.89 Favored Glycine 0 C--N 1.334 0.459 0 C-N-CA 120.884 -0.674 . . . . 0.0 113.167 179.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -123.43 167.46 13.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.949 0.404 . . . . 0.0 111.363 -179.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.76 HG13 HD11 ' A' ' 158' ' ' LEU . 20.1 mm -108.5 99.18 8.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.399 -179.419 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . 0.425 ' O ' ' N ' ' A' ' 123' ' ' GLU . 1.4 m-20 -85.4 155.24 21.37 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 178.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.402 ' HB2' ' CE2' ' A' ' 142' ' ' PHE . . . -47.22 -37.55 10.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.595 0.236 . . . . 0.0 111.569 -178.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 -71.26 -27.15 63.24 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 110.156 -0.313 . . . . 0.0 110.156 179.258 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 120' ' ' ASN . 37.6 mt-10 -84.05 -47.96 10.39 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 178.706 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . 0.581 ' CE2' HD11 ' A' ' 128' ' ' LEU . 2.4 t80 -57.47 -50.81 71.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.099 0.475 . . . . 0.0 110.874 179.685 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -55.48 -45.38 76.97 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.016 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -56.71 -31.33 64.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.867 -179.535 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' TRP . . . . . 0.476 ' O ' ' HB3' ' A' ' 130' ' ' ALA . 12.7 t90 -87.81 -36.44 17.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.603 0.239 . . . . 0.0 111.594 -178.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.581 HD11 ' CE2' ' A' ' 124' ' ' PHE . 0.9 OUTLIER -62.73 -41.9 99.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.149 0.499 . . . . 0.0 110.418 179.836 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 39.6 p -71.28 -21.86 62.03 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.073 178.569 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . 0.476 ' HB3' ' O ' ' A' ' 127' ' ' TRP . . . -64.7 -37.34 87.26 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.4 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 38.6 mt -89.12 -13.06 39.37 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 112.226 0.454 . . . . 0.0 112.226 -178.475 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 122.46 29.59 1.29 Allowed Glycine 0 N--CA 1.453 -0.2 0 C-N-CA 119.943 -1.122 . . . . 0.0 113.848 179.226 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' MET . . . . . . . . . . . . . 18.9 mmt -103.18 151.94 22.03 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 178.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.34 163.66 21.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.934 0.397 . . . . 0.0 111.289 -179.491 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 1.3 ttmm -65.01 -26.54 68.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.177 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -78.86 -25.42 43.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.86 179.382 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -73.56 -44.51 57.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.608 -179.552 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . 0.567 ' HA ' HD13 ' A' ' 128' ' ' LEU . . . -58.79 -56.28 24.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.803 -179.758 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -48.61 -44.0 36.73 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.197 179.643 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.5 -48.99 58.8 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.464 -179.56 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . 0.571 ' O ' HG23 ' A' ' 145' ' ' VAL . . . -62.01 -36.08 80.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.721 -179.049 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' PHE . . . . . 0.402 ' CE2' ' HB2' ' A' ' 121' ' ' ALA . 44.0 t80 -55.31 -59.32 4.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.856 179.584 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -58.58 -34.34 70.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.733 -0.667 . . . . 0.0 112.277 -179.723 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -65.73 -38.63 89.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.966 -178.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 0.571 HG23 ' O ' ' A' ' 141' ' ' ALA . 20.5 t -82.93 -28.58 8.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 N-CA-C 112.551 0.574 . . . . 0.0 112.551 -178.258 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.14 78.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.054 0.454 . . . . 0.0 111.239 -179.386 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . 0.452 ' N ' ' O ' ' A' ' 145' ' ' VAL . 17.0 m -56.48 -35.98 68.59 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.661 -0.699 . . . . 0.0 112.289 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 49.4 p-10 -97.12 6.59 48.24 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.234 0.457 . . . . 0.0 112.234 -178.511 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 40.29 37.31 1.1 Allowed Glycine 0 C--N 1.335 0.496 0 C-N-CA 121.087 -0.577 . . . . 0.0 113.325 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 23.2 p-10 -92.56 -6.87 48.67 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.526 0.203 . . . . 0.0 111.504 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 89.34 3.29 75.58 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.581 -0.819 . . . . 0.0 113.425 179.168 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -132.18 133.48 44.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 117.463 0.631 . . . . 0.0 110.712 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.467 ' HA ' HD23 ' A' ' 153' ' ' LEU . 7.6 mt -97.74 100.12 11.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.861 178.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 3.0 t -86.8 164.31 16.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.121 0.486 . . . . 0.0 111.606 -178.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 155' ' ' LEU . . . . . 0.472 HD11 ' CG ' ' A' ' 105' ' ' LYS . 3.1 mt -45.47 -44.96 12.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.1 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -56.46 -58.76 6.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.131 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -66.07 -14.84 62.42 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.706 -0.679 . . . . 0.0 112.585 -178.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . 0.76 HD11 HG13 ' A' ' 119' ' ' ILE . 10.9 mt -70.06 -50.15 43.99 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.919 0.39 . . . . 0.0 110.91 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.636 ' N ' HD23 ' A' ' 159' ' ' LEU . 0.3 OUTLIER -65.01 -38.61 91.49 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.478 179.881 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 75.8 p -54.22 -27.97 38.03 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.019 0.438 . . . . 0.0 110.451 179.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 161' ' ' ALA . . . . . 0.975 ' HB1' HG11 ' A' ' 172' ' ' VAL . . . -62.45 -69.14 0.27 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.775 179.664 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 162' ' ' VAL . . . . . 0.565 HG21 ' HG ' ' A' ' 175' ' ' LEU . 10.2 p -54.97 -32.03 26.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.988 179.63 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -50.34 -32.83 18.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.067 -179.792 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -94.33 49.35 1.29 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.233 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 165' ' ' PHE . . . . . 0.404 ' HA ' ' HA ' ' A' ' 169' ' ' ARG . 1.7 p90 -111.26 -33.29 6.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.919 0.39 . . . . 0.0 110.668 179.588 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . 0.458 ' HE1' HD21 ' A' ' 9' ' ' LEU . 5.9 m-70 -59.26 -61.94 2.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.494 179.599 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 167' ' ' PHE . . . . . 0.471 ' O ' ' CD2' ' A' ' 167' ' ' PHE . 54.5 p90 -92.71 110.65 22.09 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.625 179.665 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . 51.86 70.96 0.74 Allowed Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.502 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 169' ' ' ARG . . . . . 0.404 ' HA ' ' HA ' ' A' ' 165' ' ' PHE . 0.2 OUTLIER -53.97 174.48 0.05 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.862 0.363 . . . . 0.0 110.655 179.936 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 170' ' ' LEU . . . . . 0.669 HD21 ' HB ' ' A' ' 172' ' ' VAL . 0.9 OUTLIER -140.11 -168.66 2.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.61 179.843 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 52.9 p30 -81.4 55.77 2.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.082 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 172' ' ' VAL . . . . . 0.975 HG11 ' HB1' ' A' ' 161' ' ' ALA . 96.8 t -148.15 -76.09 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.903 179.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 173' ' ' GLU . . . . . 0.402 ' OE2' ' NH1' ' A' ' 12' ' ' ARG . 2.9 tt0 44.21 57.61 4.18 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.93 -179.773 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 174' ' ' LEU . . . . . 0.617 ' O ' HD23 ' A' ' 174' ' ' LEU . 3.5 tt -69.46 73.03 0.34 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.238 -179.624 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 175' ' ' LEU . . . . . 0.565 ' HG ' HG21 ' A' ' 162' ' ' VAL . 0.4 OUTLIER -126.8 -47.82 1.52 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.526 179.677 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.085 0 CA-C-O 118.382 -1.232 . . . . 0.0 112.422 179.916 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 500' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 501' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 502' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . 0.486 HG22 ' OG1' ' A' ' 2' ' ' THR . 86.1 m . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.76 0.314 . . . . 0.0 111.638 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.486 ' OG1' HG22 ' A' ' 1' ' ' THR . 0.2 OUTLIER 71.13 15.34 6.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 112.137 178.787 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 61.83 113.02 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.902 0.382 . . . . 0.0 110.773 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -78.04 -24.53 14.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.846 179.513 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.98 -45.09 90.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.818 -0.628 . . . . 0.0 112.125 -179.267 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 m -58.99 -57.04 14.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.816 0.341 . . . . 0.0 111.566 -179.387 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -49.07 -51.5 31.06 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 -178.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.431 ' HG3' ' CZ ' ' A' ' 165' ' ' PHE . 17.7 tpp180 -60.47 -44.54 95.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.773 0.321 . . . . 0.0 111.58 -178.534 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.781 HD13 HG23 ' A' ' 81' ' ' ILE . 17.0 mt -78.11 -35.19 49.53 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.144 0.424 . . . . 0.0 112.144 -178.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.5 tmtt? -57.84 -54.34 47.99 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.308 -179.428 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.0 mttp -59.69 -45.9 90.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.247 -179.664 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.443 ' NH1' HD12 ' A' ' 175' ' ' LEU . 0.1 OUTLIER -48.94 -27.47 3.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.878 0.371 . . . . 0.0 111.346 -179.606 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.476 ' CD1' ' HB2' ' A' ' 77' ' ' GLU . 70.3 t80 -72.17 -51.7 20.02 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.712 -179.844 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -69.36 -26.26 64.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.711 179.729 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -76.97 -20.13 56.49 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.639 179.384 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -108.59 77.97 1.12 Allowed 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.844 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -153.51 82.01 1.17 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.537 0.684 . . . . 0.0 110.958 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -54.98 -48.82 72.77 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 114.836 -1.074 . . . . 0.0 112.59 -178.495 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 15.6 p-10 -97.11 -13.23 22.31 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 111.864 0.32 . . . . 0.0 111.864 -179.457 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 75.06 47.64 12.94 Favored Glycine 0 C--N 1.331 0.293 0 C-N-CA 120.584 -0.817 . . . . 0.0 112.483 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.5 p-10 -97.19 -8.97 28.72 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.235 0.457 . . . . 0.0 112.235 -179.454 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 80.32 22.75 62.16 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.373 -0.918 . . . . 0.0 112.52 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -155.72 172.52 18.18 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 110.318 -0.253 . . . . 0.0 110.318 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.5 mp -112.54 119.96 39.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.763 0.316 . . . . 0.0 110.648 179.621 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -119.28 168.51 10.84 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.049 179.494 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 39.3 ptt85 -71.59 -34.59 70.03 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.225 -179.472 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.67 -20.32 55.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.012 179.623 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 43.9 m-20 -70.92 -24.47 62.46 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.789 0.328 . . . . 0.0 110.275 179.547 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.436 ' HB3' ' HB3' ' A' ' 56' ' ' PHE . 19.0 m-85 -77.95 -35.15 50.7 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.266 -179.775 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -65.71 -37.59 86.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.817 0.341 . . . . 0.0 110.245 179.552 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.37 -45.44 72.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.811 179.687 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.409 ' O ' HG13 ' A' ' 36' ' ' ILE . 4.2 tt0 -47.94 -67.08 0.31 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.357 179.802 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -45.07 -47.54 11.9 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.938 0.399 . . . . 0.0 111.203 179.356 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -61.36 -55.9 26.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.969 -0.559 . . . . 0.0 109.868 179.543 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -52.7 -27.82 19.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.49 179.756 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.409 HG13 ' O ' ' A' ' 32' ' ' GLU . 96.2 mt -77.68 -57.54 5.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.55 179.122 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -40.92 -46.0 2.68 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.774 -179.622 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -57.89 -40.29 79.93 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.635 179.726 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.26 -27.54 69.41 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.728 179.257 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -90.97 1.23 57.21 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.602 -179.741 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 67.84 13.43 63.86 Favored Glycine 0 C--N 1.332 0.341 0 C-N-CA 120.705 -0.76 . . . . 0.0 113.304 179.516 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 56.3 mmtt -91.63 155.06 18.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.782 0.325 . . . . 0.0 110.761 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -70.84 129.8 40.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.363 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.536 ' O ' HG11 ' A' ' 49' ' ' VAL . . . -67.6 -15.63 63.76 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.799 -179.575 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -102.09 16.97 55.13 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.285 -0.96 . . . . 0.0 113.42 -179.19 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.05 -170.49 0.35 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.867 0.333 . . . . 0.0 110.772 179.354 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -89.5 -45.14 9.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.004 0.431 . . . . 0.0 111.076 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -62.2 -23.62 66.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.992 -179.087 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.536 HG11 ' O ' ' A' ' 44' ' ' ALA . 7.7 p -75.94 -45.13 37.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.457 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.491 ' N ' HG13 ' A' ' 49' ' ' VAL . 10.5 tt0 -61.9 -39.3 91.53 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 179.118 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 94.5 m -60.49 -54.98 39.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 109.965 178.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 11.6 tp -52.27 -59.54 4.28 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.515 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.3 mttt -50.93 -37.07 41.93 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 121.002 0.429 . . . . 0.0 110.025 179.348 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -58.6 -44.21 89.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.22 179.277 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.441 ' CB ' ' O ' ' A' ' 102' ' ' PRO . . . -69.37 -46.23 67.45 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.018 179.633 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.436 ' HB3' ' HB3' ' A' ' 29' ' ' PHE . 0.4 OUTLIER -55.12 -30.86 60.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.496 179.789 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -62.63 -51.11 58.4 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.508 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -61.89 -28.02 69.55 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.586 -0.816 . . . . 0.0 112.512 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.768 HD13 HG21 ' A' ' 103' ' ' VAL . 12.5 tp -56.84 -35.38 68.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.751 0.31 . . . . 0.0 110.622 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 50.7 t80 -64.52 -40.24 95.25 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.62 179.33 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -42.39 -51.69 4.84 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.629 -179.788 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.413 ' OH ' ' NE2' ' A' ' 91' ' ' GLN . 16.1 t80 -58.9 -35.1 72.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.035 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 86.5 mt -66.55 -60.19 2.95 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.797 0.332 . . . . 0.0 110.755 -179.714 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.814 ' HB1' ' O ' ' A' ' 69' ' ' VAL . . . -54.34 -45.07 72.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.349 179.724 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.37 -53.96 40.41 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.091 0.472 . . . . 0.0 110.519 179.819 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.528 ' HG2' HG13 ' A' ' 83' ' ' VAL . 5.4 tp10 -62.07 -41.47 98.19 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.017 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -77.2 -26.35 52.73 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.515 -179.403 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 64' ' ' ALA . . . 103.01 2.0 48.69 Favored Glycine 0 CA--C 1.521 0.429 0 C-N-CA 120.69 -0.767 . . . . 0.0 114.366 178.759 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.814 ' O ' ' HB1' ' A' ' 64' ' ' ALA . 31.6 m -102.96 173.41 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 117.244 0.522 . . . . 0.0 110.923 179.766 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -88.17 -179.63 46.98 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 121.146 -0.549 . . . . 0.0 114.117 -178.489 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.23 -16.41 61.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.332 -0.434 . . . . 0.0 111.643 178.754 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 7.4 p30 -111.73 14.41 21.13 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 111.622 0.231 . . . . 0.0 111.622 -179.679 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -93.79 -166.52 37.45 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.454 -0.879 . . . . 0.0 112.655 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -141.95 154.75 45.29 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.949 0.404 . . . . 0.0 111.369 -179.469 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.7 mp -113.15 136.61 52.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.362 179.56 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 5.6 p -83.84 -172.87 4.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.659 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.476 ' HB2' ' CD1' ' A' ' 13' ' ' PHE . 1.0 OUTLIER -81.45 -51.48 8.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.815 0.341 . . . . 0.0 110.453 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -55.5 -34.38 64.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.799 179.164 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -73.96 -42.06 61.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.947 179.125 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.465 ' CE1' ' OG1' ' A' ' 84' ' ' THR . 32.1 t80 -52.84 -51.42 61.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.79 179.194 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.781 HG23 HD13 ' A' ' 9' ' ' LEU . 10.7 mt -56.22 -49.14 77.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.215 -179.786 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.66 -50.61 72.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.327 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.528 HG13 ' HG2' ' A' ' 66' ' ' GLU . 32.4 t -72.89 -43.49 59.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.894 -179.406 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.465 ' OG1' ' CE1' ' A' ' 80' ' ' PHE . 79.5 m -60.6 -47.42 86.28 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.99 0.424 . . . . 0.0 110.229 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -53.03 -49.66 65.82 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.279 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.443 ' O ' ' N ' ' A' ' 90' ' ' GLU . 77.8 m-20 -59.52 -40.06 85.9 Favored 'General case' 0 C--N 1.334 -0.083 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.346 -179.798 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 6.3 mt -58.33 -43.67 88.36 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.876 0.369 . . . . 0.0 110.28 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 10.2 mt -71.75 -34.5 52.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.247 179.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 30.6 m-85 -92.89 -74.81 0.51 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.606 -179.392 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 86' ' ' ASN . 0.0 OUTLIER -66.93 -157.17 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.981 -179.782 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.419 ' HB2' ' O ' ' A' ' 90' ' ' GLU . 3.3 mp0 70.32 -90.22 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.903 -179.741 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 128.69 -179.47 16.6 Favored Glycine 0 C--N 1.331 0.295 0 C-N-CA 120.202 -0.999 . . . . 0.0 113.172 179.638 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -59.05 -63.06 1.44 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.13 0.49 . . . . 0.0 110.874 179.66 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -59.03 -16.99 21.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.589 -0.732 . . . . 0.0 112.086 -179.334 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.91 -48.32 16.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.026 0.441 . . . . 0.0 110.454 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.596 ' CE1' HD22 ' A' ' 100' ' ' LEU . 0.3 OUTLIER -72.22 -38.01 69.08 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.823 179.591 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.445 ' HA ' HD13 ' A' ' 159' ' ' LEU . 16.8 m-20 -69.29 -35.65 76.24 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.396 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 5.7 mtp85 -62.14 -64.56 0.89 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.963 0.411 . . . . 0.0 111.482 -179.569 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 6.3 p -70.72 -39.69 76.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 112.842 0.682 . . . . 0.0 112.842 -177.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.596 HD22 ' CE1' ' A' ' 96' ' ' PHE . 2.7 tp -86.13 -26.58 25.14 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 119.967 -0.693 . . . . 0.0 112.217 -177.286 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -43.39 -62.87 2.31 Favored Glycine 0 CA--C 1.521 0.444 0 C-N-CA 120.521 -0.847 . . . . 0.0 112.329 179.465 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.441 ' O ' ' CB ' ' A' ' 55' ' ' ALA . 35.5 Cg_exo -59.02 -19.6 49.27 Favored 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 122.489 2.126 . . . . 0.0 112.049 179.432 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.768 HG21 HD13 ' A' ' 59' ' ' LEU . 6.2 t -78.15 -50.56 19.28 Favored 'Isoleucine or valine' 0 C--O 1.232 0.172 0 C-N-CA 120.857 -0.337 . . . . 0.0 110.829 -179.82 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.586 ' O ' HG23 ' A' ' 108' ' ' VAL . 59.0 t -69.66 -34.58 61.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.108 0.48 . . . . 0.0 110.263 178.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.83 -56.96 13.72 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.735 179.297 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -45.83 -35.58 6.12 Favored Glycine 0 C--N 1.331 0.255 0 C-N-CA 120.934 -0.65 . . . . 0.0 112.627 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.545 HG21 ' CZ2' ' A' ' 127' ' ' TRP . 13.5 mt -75.95 -39.01 36.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.628 0.251 . . . . 0.0 111.346 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.729 HG13 HD11 ' A' ' 119' ' ' ILE . 36.0 t -61.72 -35.05 65.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.965 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -61.67 -37.36 94.11 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.474 -0.869 . . . . 0.0 112.124 179.687 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -79.93 -26.47 40.11 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.525 0.202 . . . . 0.0 110.497 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 17.3 m -94.04 45.83 1.15 Allowed 'General case' 0 CA--C 1.52 -0.184 0 CA-C-O 121.334 0.588 . . . . 0.0 111.293 -178.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -166.68 108.33 0.69 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.221 -0.9 . . . . 0.0 110.313 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 2.3 mttp -95.03 3.35 54.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.425 179.041 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 25.4 p30 -104.37 -19.54 14.03 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-O 120.788 0.328 . . . . 0.0 110.596 179.484 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . 65.85 58.15 0.78 Allowed 'General case' 0 C--O 1.232 0.147 0 CA-C-N 116.283 -0.417 . . . . 0.0 112.006 179.099 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 55.6 p30 -114.59 -12.73 12.21 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.701 -0.227 . . . . 0.0 111.394 179.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 82.6 5.56 89.36 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.636 -0.793 . . . . 0.0 113.108 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -122.35 161.01 24.2 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.052 0.453 . . . . 0.0 111.516 -179.556 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.729 HD11 HG13 ' A' ' 108' ' ' VAL . 27.3 mm -108.81 99.99 9.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.823 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . 0.433 ' O ' ' N ' ' A' ' 123' ' ' GLU . 1.5 m120 -84.95 155.73 21.49 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 179.191 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -45.75 -36.63 5.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.582 0.23 . . . . 0.0 111.531 -178.707 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -70.1 -28.74 65.65 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.696 0.284 . . . . 0.0 110.371 179.305 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 120' ' ' ASN . 35.7 mt-10 -83.66 -47.62 11.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.614 -0.266 . . . . 0.0 110.782 179.331 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -55.8 -44.46 77.81 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.126 0.489 . . . . 0.0 110.453 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -58.21 -43.99 87.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.08 179.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -54.57 -32.7 59.01 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 115.921 -0.581 . . . . 0.0 112.553 -179.4 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' TRP . . . . . 0.688 ' CH2' HD11 ' A' ' 174' ' ' LEU . 15.8 t90 -89.49 -32.82 17.02 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.708 0.29 . . . . 0.0 111.671 -178.671 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.633 HD23 ' HG3' ' A' ' 133' ' ' MET . 0.1 OUTLIER -63.77 -46.18 86.4 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.922 0.391 . . . . 0.0 110.724 179.838 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . 0.434 ' HA ' ' O ' ' A' ' 133' ' ' MET . 36.0 p -69.8 -22.34 63.32 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.994 178.704 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . 0.403 ' HB3' ' O ' ' A' ' 127' ' ' TRP . . . -66.36 -39.11 88.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.433 179.72 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.602 HD11 ' NE1' ' A' ' 127' ' ' TRP . 1.3 mt -88.36 -4.99 58.57 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 112.781 0.66 . . . . 0.0 112.781 -178.307 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 114.7 25.98 3.78 Favored Glycine 0 CA--C 1.517 0.218 0 C-N-CA 119.813 -1.185 . . . . 0.0 113.972 178.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' MET . . . . . 0.633 ' HG3' HD23 ' A' ' 128' ' ' LEU . 2.9 mmt -104.2 152.44 22.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 117.529 0.665 . . . . 0.0 110.615 179.422 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.18 160.07 24.45 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.863 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 3.2 mtpp -64.28 -22.13 66.84 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 111.952 0.353 . . . . 0.0 111.952 -178.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -81.71 -25.64 35.29 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.854 0.359 . . . . 0.0 111.403 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -73.19 -40.18 64.99 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.45 -179.63 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . 0.481 ' HA ' HD13 ' A' ' 128' ' ' LEU . . . -61.08 -56.22 23.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.866 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -47.51 -42.22 22.65 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.965 179.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -70.91 -45.32 64.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.334 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . 0.783 ' O ' HG23 ' A' ' 145' ' ' VAL . . . -64.04 -33.97 76.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.198 -179.524 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 81.1 t80 -56.69 -60.51 3.45 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.117 0.484 . . . . 0.0 110.197 179.327 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 67.6 m-20 -56.67 -34.95 67.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.542 -0.754 . . . . 0.0 112.537 -179.552 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' GLN . . . . . 0.451 ' HG3' HD13 ' A' ' 170' ' ' LEU . 2.3 pt20 -69.75 -28.58 65.9 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-O 120.725 0.298 . . . . 0.0 111.339 -179.005 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 0.783 HG23 ' O ' ' A' ' 141' ' ' ALA . 44.6 t -85.78 -35.84 9.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.176 -0.466 . . . . 0.0 112.044 -178.465 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.75 78.08 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.047 0.451 . . . . 0.0 111.138 -179.388 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . 0.448 ' N ' ' O ' ' A' ' 145' ' ' VAL . 0.0 OUTLIER -56.86 -31.36 64.72 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.675 179.463 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 48.6 p30 -97.85 5.11 49.45 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.23 -0.441 . . . . 0.0 112.074 -178.72 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 39.79 37.73 0.99 Allowed Glycine 0 C--N 1.335 0.511 0 C-N-CA 121.097 -0.573 . . . . 0.0 113.151 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 27.9 p-10 -92.89 -6.61 48.26 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 111.596 0.221 . . . . 0.0 111.596 -179.692 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 89.58 3.54 74.46 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.547 -0.835 . . . . 0.0 113.424 179.147 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -134.0 135.49 43.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 117.426 0.613 . . . . 0.0 110.772 179.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 153' ' ' LEU . 32.6 mt -102.91 100.04 9.98 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.915 178.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 23.9 p -88.29 171.77 9.93 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.281 0.562 . . . . 0.0 111.887 -178.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -50.79 -45.27 59.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.406 -0.815 . . . . 0.0 111.667 -179.604 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -57.15 -55.55 33.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.335 0.588 . . . . 0.0 111.106 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -64.79 -17.58 64.32 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.407 -0.815 . . . . 0.0 112.517 -178.496 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . 0.619 ' O ' HG23 ' A' ' 162' ' ' VAL . 1.6 mt -72.6 -65.44 0.79 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.915 0.388 . . . . 0.0 110.944 179.479 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.445 HD13 ' HA ' ' A' ' 97' ' ' ASN . 3.0 mt -43.59 -45.76 6.87 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.054 -179.722 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -50.95 -59.76 3.8 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.367 179.777 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 161' ' ' ALA . . . . . 0.673 ' HB2' HG13 ' A' ' 145' ' ' VAL . . . -60.46 -40.64 91.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.544 179.066 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 162' ' ' VAL . . . . . 0.747 HG22 HD13 ' A' ' 174' ' ' LEU . 93.7 t -51.64 -27.1 7.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.814 179.464 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 30.2 ttm180 -42.75 127.44 3.96 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.215 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -47.42 172.14 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.519 -179.623 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 165' ' ' PHE . . . . . 0.431 ' CZ ' ' HG3' ' A' ' 8' ' ' ARG . 2.0 p90 -61.59 177.54 0.39 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.439 -0.801 . . . . 0.0 111.191 -179.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . 0.438 ' O ' ' N ' ' A' ' 168' ' ' GLY . 0.1 OUTLIER -166.29 -161.61 0.48 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.336 -179.73 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 167' ' ' PHE . . . . . . . . . . . . . 5.7 p90 -54.27 88.37 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.837 0.351 . . . . 0.0 110.473 179.647 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 168' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 166' ' ' HIS . . . 57.47 51.71 56.11 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.474 -0.87 . . . . 0.0 112.023 -179.421 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 169' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.11 -178.84 0.09 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.936 0.398 . . . . 0.0 111.489 -179.578 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 170' ' ' LEU . . . . . 0.726 HD12 HG23 ' A' ' 172' ' ' VAL . 0.0 OUTLIER -74.25 -92.36 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.127 -179.667 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -177.36 54.6 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.871 0.367 . . . . 0.0 111.313 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 172' ' ' VAL . . . . . 0.726 HG23 HD12 ' A' ' 170' ' ' LEU . 73.7 t -106.49 -77.3 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.105 179.264 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 70.44 -67.0 0.26 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.126 179.087 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 174' ' ' LEU . . . . . 0.747 HD13 HG22 ' A' ' 162' ' ' VAL . 6.9 tt 46.77 96.97 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.884 0.373 . . . . 0.0 111.297 179.74 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 175' ' ' LEU . . . . . 0.746 HD23 ' O ' ' A' ' 174' ' ' LEU . 13.0 mt -144.27 -49.89 0.28 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.141 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 176' ' ' GLY . . . . . 0.51 ' O ' HD22 ' A' ' 131' ' ' LEU . . . . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.4 -1.222 . . . . 0.0 112.505 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 500' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 501' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 502' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 1.8 t . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.789 0.328 . . . . 0.0 111.115 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.58 ' O ' ' HB3' ' A' ' 3' ' ' ALA . 0.3 OUTLIER 63.54 16.33 9.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.214 -179.897 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.58 ' HB3' ' O ' ' A' ' 2' ' ' THR . . . 80.83 173.3 0.12 Allowed 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 120.96 0.41 . . . . 0.0 111.442 179.717 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 30.2 mm -80.67 -28.56 11.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.228 179.735 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.25 -37.5 87.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.9 -179.403 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.9 t -59.68 -59.09 6.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.888 0.375 . . . . 0.0 110.862 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -45.3 -49.04 13.0 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.742 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.49 -46.15 89.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.68 -179.098 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.46 HD13 HG23 ' A' ' 81' ' ' ILE . 55.0 mt -76.08 -33.04 59.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.79 0.328 . . . . 0.0 111.223 -179.162 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.26 -47.99 83.49 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.459 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.5 mttt -66.25 -44.94 82.25 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.59 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.1 -28.66 1.84 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.723 179.598 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 43.1 t80 -75.36 -53.03 9.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.382 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -67.75 -28.3 67.52 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.543 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.7 ttp180 -76.55 -17.96 58.94 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.279 179.675 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -116.85 83.15 1.92 Allowed 'General case' 0 N--CA 1.455 -0.223 0 CA-C-O 121.079 0.466 . . . . 0.0 110.844 -179.839 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -153.41 86.36 1.22 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.574 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -52.92 -50.77 63.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.419 -0.81 . . . . 0.0 112.009 -178.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 26.6 p-10 -99.22 -11.32 21.42 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 -179.121 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 69.34 42.88 72.82 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.405 -0.902 . . . . 0.0 112.112 -179.691 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 20.0 p-10 -89.34 -4.85 57.93 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 111.81 0.3 . . . . 0.0 111.81 -179.322 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 82.17 18.98 65.78 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.561 -0.828 . . . . 0.0 112.811 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.513 ' HB1' ' HB3' ' A' ' 74' ' ' SER . . . -154.66 179.61 8.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.621 0.248 . . . . 0.0 110.552 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.3 tp -118.75 123.31 44.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.737 0.303 . . . . 0.0 110.63 179.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -115.76 170.7 8.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.015 0.436 . . . . 0.0 110.395 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.422 ' HA ' ' CD2' ' A' ' 60' ' ' PHE . 0.0 OUTLIER -69.59 -30.6 68.4 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.634 179.795 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.38 -16.26 63.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.132 179.585 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.29 -33.61 63.29 Favored 'General case' 0 C--O 1.232 0.146 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 179.095 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.425 ' HB3' ' HB3' ' A' ' 56' ' ' PHE . 57.1 m-85 -75.21 -41.18 58.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.386 179.561 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -64.47 -39.92 94.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.959 179.376 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 55.7 mttm -66.44 -40.54 89.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.127 0.489 . . . . 0.0 109.805 179.107 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.419 ' O ' HG13 ' A' ' 36' ' ' ILE . 4.9 tp10 -53.06 -60.46 3.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.063 179.432 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -45.2 -49.33 12.29 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.902 0.382 . . . . 0.0 111.316 179.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -62.37 -47.41 84.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.273 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 1.7 t-160 -57.04 -42.78 81.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.803 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.419 HG13 ' O ' ' A' ' 32' ' ' GLU . 19.9 mt -64.05 -56.28 17.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.719 179.652 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.461 ' HB1' HG22 ' A' ' 49' ' ' VAL . . . -42.48 -39.18 2.16 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 121.09 0.471 . . . . 0.0 111.021 179.652 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.38 -39.4 90.56 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.258 179.617 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.39 -25.94 64.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.971 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.429 ' CZ ' ' SG ' ' A' ' 111' ' ' CYS . 1.8 m-85 -91.94 3.21 55.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.389 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 51.68 72.01 0.57 Allowed Glycine 0 C--N 1.333 0.387 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.98 179.512 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -150.45 28.89 0.71 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.76 0.314 . . . . 0.0 110.377 179.716 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 60.48 131.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.187 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.91 -8.75 39.3 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.703 -0.68 . . . . 0.0 112.265 -179.483 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -104.06 13.86 52.3 Favored Glycine 0 CA--C 1.52 0.377 0 C-N-CA 120.216 -0.992 . . . . 0.0 114.146 -178.694 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.722 ' HB3' HG23 ' A' ' 49' ' ' VAL . . . -68.92 171.76 7.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 117.241 0.52 . . . . 0.0 111.151 179.416 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.59 -45.91 67.51 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.096 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -63.57 -20.89 66.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.499 -179.298 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.722 HG23 ' HB3' ' A' ' 46' ' ' ALA . 14.6 t -76.88 -45.73 30.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 179.521 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 36.2 tp60 -60.06 -39.1 84.86 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 178.733 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 14.6 m -57.42 -59.62 4.87 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.667 179.298 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 24.9 tp -50.69 -57.28 8.67 Favored 'General case' 0 C--N 1.332 -0.163 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.408 -179.525 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 11.0 tttp -49.78 -43.58 48.39 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.714 0.292 . . . . 0.0 110.436 179.44 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -57.65 -43.4 84.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.033 179.508 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.31 -51.47 36.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.681 179.331 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.425 ' HB3' ' HB3' ' A' ' 29' ' ' PHE . 0.1 OUTLIER -52.44 -28.49 20.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.601 179.689 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -67.55 -52.28 31.3 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.55 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -57.76 -28.42 60.27 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.643 -0.789 . . . . 0.0 111.999 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 51.5 tp -59.34 -39.24 82.54 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.712 0.291 . . . . 0.0 110.813 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.422 ' CD2' ' HA ' ' A' ' 26' ' ' ARG . 11.8 t80 -61.13 -43.48 98.82 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.239 179.468 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -43.87 -42.59 5.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.761 0.315 . . . . 0.0 111.11 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.433 ' O ' ' HB2' ' A' ' 66' ' ' GLU . 13.7 t80 -59.25 -41.87 89.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.493 179.613 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 59.5 mt -63.64 -54.29 38.02 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.115 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.709 ' HB1' ' O ' ' A' ' 69' ' ' VAL . . . -53.81 -48.72 69.6 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 16.0 tttt -64.4 -50.84 66.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.734 0.302 . . . . 0.0 111.386 -179.433 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.433 ' HB2' ' O ' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -62.64 -40.24 96.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.254 179.733 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -78.55 -25.33 45.41 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.815 0.341 . . . . 0.0 111.607 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 101.02 6.93 51.24 Favored Glycine 0 CA--C 1.52 0.397 0 C-N-CA 120.612 -0.804 . . . . 0.0 113.946 179.036 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.709 ' O ' ' HB1' ' A' ' 64' ' ' ALA . 35.2 m -106.04 170.92 2.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.845 0.322 . . . . 0.0 110.487 179.494 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -86.9 178.58 48.44 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.875 -0.679 . . . . 0.0 114.122 -178.45 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 54.5 m -65.21 -13.14 57.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.266 -0.467 . . . . 0.0 111.097 178.207 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -112.49 12.63 20.02 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 116.776 -0.193 . . . . 0.0 111.496 -179.746 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -94.66 -165.18 35.87 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.469 -0.872 . . . . 0.0 112.779 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.513 ' HB3' ' HB1' ' A' ' 23' ' ' ALA . 0.4 OUTLIER -144.15 157.04 44.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.845 0.355 . . . . 0.0 110.924 -179.759 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.7 mp -118.07 142.54 47.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.535 179.325 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 59.6 p -86.77 169.11 12.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.934 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -60.38 -48.51 81.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.609 179.702 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -59.11 -33.46 70.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.798 179.645 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.401 ' O ' HG12 ' A' ' 83' ' ' VAL . 0.3 OUTLIER -73.21 -42.9 62.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.022 0.439 . . . . 0.0 110.189 179.336 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.424 ' CD1' ' OG1' ' A' ' 84' ' ' THR . 7.4 t80 -52.27 -52.78 50.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.606 179.364 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.46 HG23 HD13 ' A' ' 9' ' ' LEU . 62.7 mt -51.31 -53.78 14.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.877 -179.455 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -55.94 -57.19 13.13 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.395 0.517 . . . . 0.0 112.395 -179.036 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.401 HG12 ' O ' ' A' ' 79' ' ' GLN . 13.9 p -70.48 -36.73 67.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 111.957 0.354 . . . . 0.0 111.957 -179.059 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.424 ' OG1' ' CD1' ' A' ' 80' ' ' PHE . 99.6 m -62.7 -46.88 86.08 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.836 0.35 . . . . 0.0 110.143 179.753 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.41 ' HB2' ' O ' ' A' ' 81' ' ' ILE . 0.4 OUTLIER -49.69 -49.78 46.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.454 -179.743 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -58.29 -34.93 71.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.714 -179.25 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 6.2 mt -59.8 -48.78 80.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.767 0.317 . . . . 0.0 111.077 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 3.0 mt -73.67 -39.34 53.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.085 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 -88.06 -84.49 0.2 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.786 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -62.2 -161.88 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.821 0.343 . . . . 0.0 110.718 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 74.01 125.96 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.962 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -61.02 159.02 28.96 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.714 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.88 -54.41 45.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.887 0.375 . . . . 0.0 111.172 -179.658 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.86 -11.12 11.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.017 -0.538 . . . . 0.0 112.398 -179.682 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.8 t -74.56 -44.39 51.21 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.928 0.394 . . . . 0.0 111.016 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.531 ' CE1' HD22 ' A' ' 100' ' ' LEU . 0.2 OUTLIER -68.34 -42.71 78.9 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.096 0.474 . . . . 0.0 110.8 179.902 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 41.8 t30 -67.15 -35.42 79.66 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.342 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.89 -62.69 1.48 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.93 -179.456 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 21.6 t -74.3 -36.21 42.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 N-CA-C 112.64 0.607 . . . . 0.0 112.64 -177.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.531 HD22 ' CE1' ' A' ' 96' ' ' PHE . 5.4 tp -89.17 -27.11 20.9 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 119.72 -0.792 . . . . 0.0 111.806 -178.165 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.452 ' N ' ' HD2' ' A' ' 102' ' ' PRO . . . -40.55 -58.58 2.5 Favored Glycine 0 CA--C 1.522 0.501 0 C-N-CA 121.114 -0.565 . . . . 0.0 112.847 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.452 ' HD2' ' N ' ' A' ' 101' ' ' GLY . 29.4 Cg_endo -65.03 -11.39 29.61 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.55 2.167 . . . . 0.0 112.405 179.564 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 48.0 t -80.57 -54.98 9.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.933 0.397 . . . . 0.0 110.841 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.415 HG11 HD22 ' A' ' 158' ' ' LEU . 3.3 t -69.39 -35.82 68.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.89 179.771 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 21.6 mtpt -56.57 -55.26 36.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.82 179.542 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -46.09 -32.1 4.71 Favored Glycine 0 C--N 1.332 0.336 0 C-N-CA 121.04 -0.6 . . . . 0.0 112.788 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 42.9 mt -73.56 -40.37 55.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.134 0.492 . . . . 0.0 110.752 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.765 HG22 HD11 ' A' ' 119' ' ' ILE . 33.6 t -63.96 -35.02 72.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.659 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -65.41 -36.45 92.65 Favored Glycine 0 CA--C 1.518 0.253 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.858 -179.671 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 14.8 ptp -79.28 -24.95 42.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.799 0.299 . . . . 0.0 110.993 -179.349 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . 0.482 ' O ' ' N ' ' A' ' 113' ' ' LYS . 35.6 t -95.26 -84.99 0.33 Allowed 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.51 0.559 . . . . 0.0 112.51 -178.156 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . 0.459 ' O ' ' HB2' ' A' ' 113' ' ' LYS . 3.9 m-20 19.35 -81.02 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 124.332 1.053 . . . . 0.0 112.449 -178.587 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' A' ' 111' ' ' CYS . 0.1 OUTLIER 91.69 -20.77 0.11 Allowed 'General case' 0 N--CA 1.457 -0.124 0 C-N-CA 124.274 1.03 . . . . 0.0 111.422 -178.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . 0.411 ' O ' ' HB3' ' A' ' 115' ' ' ALA . 6.1 p30 -107.35 -22.45 12.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.669 0.271 . . . . 0.0 110.535 179.445 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.411 ' HB3' ' O ' ' A' ' 114' ' ' ASN . . . 67.42 64.66 0.41 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.655 179.462 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 37.7 p30 -125.28 -8.77 7.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.733 179.309 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 79.55 8.16 87.95 Favored Glycine 0 C--N 1.333 0.392 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.973 179.713 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.88 165.5 15.11 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.051 0.453 . . . . 0.0 111.394 -179.545 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.795 HG13 HD11 ' A' ' 158' ' ' LEU . 38.4 mm -110.33 98.53 7.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.832 -179.698 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -85.43 158.8 20.12 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 179.32 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.434 ' HA ' ' CD1' ' A' ' 142' ' ' PHE . . . -48.77 -37.25 18.49 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 111.567 0.21 . . . . 0.0 111.567 -178.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -70.23 -26.67 63.96 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 179.207 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -83.96 -46.8 11.68 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 178.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . 0.485 ' CE2' HD11 ' A' ' 128' ' ' LEU . 3.8 t80 -56.46 -52.41 64.78 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.962 0.411 . . . . 0.0 110.915 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.557 ' HA ' ' HB1' ' A' ' 138' ' ' ALA . . . -54.98 -44.21 74.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.075 -179.84 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -55.35 -32.45 62.56 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.519 -179.712 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' TRP . . . . . 0.472 ' O ' ' HB3' ' A' ' 130' ' ' ALA . 13.3 t90 -86.53 -40.67 15.02 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 111.62 0.23 . . . . 0.0 111.62 -179.129 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.485 HD11 ' CE2' ' A' ' 124' ' ' PHE . 0.2 OUTLIER -59.56 -42.82 93.29 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.021 0.438 . . . . 0.0 109.84 179.88 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . 0.416 ' HA ' ' O ' ' A' ' 133' ' ' MET . 65.3 p -71.72 -22.92 61.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.911 178.4 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . 0.472 ' HB3' ' O ' ' A' ' 127' ' ' TRP . . . -66.41 -38.55 87.71 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.757 179.458 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 48.6 mt -84.82 -4.37 59.05 Favored 'General case' 0 CA--C 1.529 0.16 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 -178.609 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 112.67 25.82 4.43 Favored Glycine 0 C--N 1.332 0.321 0 C-N-CA 120.168 -1.015 . . . . 0.0 113.815 178.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' MET . . . . . 0.423 ' CG ' ' O ' ' A' ' 128' ' ' LEU . 3.4 mmt -100.08 154.25 18.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 117.159 0.479 . . . . 0.0 110.34 179.256 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -80.25 179.01 7.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.804 0.335 . . . . 0.0 111.147 -179.458 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.93 -32.61 45.67 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.842 -179.181 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -76.56 -26.06 54.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.856 0.36 . . . . 0.0 111.42 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -73.89 -44.98 53.53 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.944 -179.214 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . 0.557 ' HB1' ' HA ' ' A' ' 125' ' ' ALA . . . -58.05 -52.07 67.04 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.911 0.386 . . . . 0.0 110.671 -179.564 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -49.72 -40.4 40.48 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.105 179.399 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -71.6 -44.07 65.09 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.768 -179.515 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . 0.752 ' O ' HG23 ' A' ' 145' ' ' VAL . . . -63.6 -36.72 84.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.52 -179.077 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' PHE . . . . . 0.434 ' CD1' ' HA ' ' A' ' 121' ' ' ALA . 74.0 t80 -55.49 -59.85 4.25 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.652 179.605 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 32.5 m-80 -56.37 -35.38 67.64 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.852 -179.528 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -65.13 -34.18 77.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.505 -179.441 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 0.882 HG13 ' HB2' ' A' ' 161' ' ' ALA . 12.4 t -85.15 -34.32 8.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 112.577 0.584 . . . . 0.0 112.577 -178.429 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.1 78.35 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 121.141 0.496 . . . . 0.0 111.209 -179.081 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . 0.457 ' N ' ' O ' ' A' ' 145' ' ' VAL . 4.0 m -56.39 -33.83 66.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.405 -0.816 . . . . 0.0 112.955 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 31.0 p30 -95.92 7.41 46.44 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.491 0.552 . . . . 0.0 112.491 -178.205 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 43.01 28.25 0.7 Allowed Glycine 0 C--N 1.332 0.325 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.844 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 28.4 p-10 -86.58 -7.04 58.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.774 0.321 . . . . 0.0 110.87 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 86.98 7.02 78.41 Favored Glycine 0 N--CA 1.444 -0.789 0 C-N-CA 120.691 -0.766 . . . . 0.0 113.108 179.337 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 74.9 mt-10 -133.07 133.45 43.02 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 117.528 0.664 . . . . 0.0 110.851 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.433 ' HB2' ' HB ' ' A' ' 119' ' ' ILE . 43.7 mt -98.37 101.5 12.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.154 179.11 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 9.6 p -89.19 167.48 13.07 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.242 0.544 . . . . 0.0 112.165 -178.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -49.91 -46.07 51.57 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.35 -0.841 . . . . 0.0 111.292 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -57.44 -54.76 43.21 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.066 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -64.67 -19.34 65.67 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.731 -0.668 . . . . 0.0 112.441 -178.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . 0.795 HD11 HG13 ' A' ' 119' ' ' ILE . 0.2 OUTLIER -72.01 -56.9 4.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.663 179.562 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.409 ' N ' HD23 ' A' ' 159' ' ' LEU . 2.5 mt -51.92 -50.88 60.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.253 -179.645 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -50.64 -52.05 43.24 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.949 0.404 . . . . 0.0 110.877 -179.677 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 161' ' ' ALA . . . . . 0.882 ' HB2' HG13 ' A' ' 145' ' ' VAL . . . -58.48 -37.23 75.08 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.973 179.755 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 162' ' ' VAL . . . . . 0.653 HG23 ' O ' ' A' ' 158' ' ' LEU . 63.9 t -53.58 -39.56 38.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.247 179.785 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.35 62.63 6.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.315 -179.667 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . 0.455 ' OD1' HD21 ' A' ' 170' ' ' LEU . 3.7 m-20 -146.67 53.25 1.1 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.692 179.6 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 165' ' ' PHE . . . . . 0.49 ' CG ' ' O ' ' A' ' 165' ' ' PHE . 11.9 p90 -156.8 112.32 2.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.412 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 3.4 t-80 -179.18 -63.67 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.135 -179.643 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 167' ' ' PHE . . . . . . . . . . . . . 17.7 p90 -104.3 -21.7 13.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.12 -179.592 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . 177.78 81.65 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.444 -0.884 . . . . 0.0 112.804 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 169' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.19 140.47 26.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.763 0.316 . . . . 0.0 110.398 179.714 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 170' ' ' LEU . . . . . 0.455 HD21 ' OD1' ' A' ' 164' ' ' ASP . 0.6 OUTLIER -101.28 45.93 0.95 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.356 -179.487 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 72.15 25.45 2.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.496 179.554 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 172' ' ' VAL . . . . . 0.583 HG11 ' O ' ' A' ' 161' ' ' ALA . 98.2 t -108.61 -80.03 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.572 0.225 . . . . 0.0 111.438 179.807 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 57.56 -160.29 0.24 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.709 0.29 . . . . 0.0 110.379 -179.591 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 174' ' ' LEU . . . . . 0.434 HD13 HG22 ' A' ' 162' ' ' VAL . 50.8 tp -141.08 -51.98 0.45 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.827 179.791 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 175' ' ' LEU . . . . . . . . . . . . . 55.1 mt -97.36 -178.45 4.16 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.099 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.421 -1.211 . . . . 0.0 112.462 -179.853 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 500' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 501' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 502' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 50.6 m . . . . . 0 N--CA 1.488 1.439 0 CA-C-O 120.707 0.289 . . . . 0.0 111.068 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.4 t -173.24 -170.91 0.67 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.191 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 65.34 -76.62 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.156 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 23.9 mm -72.09 -37.0 58.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.235 179.599 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.452 ' HA ' ' NE2' ' A' ' 166' ' ' HIS . . . -63.44 -52.31 62.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.701 -0.682 . . . . 0.0 111.433 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.416 ' O ' ' HB2' ' A' ' 10' ' ' LYS . 2.4 p -58.98 -52.16 66.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.818 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.69 -52.77 54.55 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.634 -179.644 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.59 -46.07 90.01 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 -178.612 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.943 HD13 HG23 ' A' ' 81' ' ' ILE . 13.7 mt -75.27 -33.14 61.22 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 121.075 -0.25 . . . . 0.0 111.5 -178.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.416 ' HB2' ' O ' ' A' ' 6' ' ' SER . 0.6 OUTLIER -61.04 -44.64 97.09 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.844 0.354 . . . . 0.0 110.602 179.742 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.414 ' O ' ' N ' ' A' ' 15' ' ' ARG . 5.0 mmtm -68.65 -45.1 72.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.182 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -46.77 -33.86 4.76 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.983 0.42 . . . . 0.0 111.006 179.678 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -74.81 -54.53 7.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.874 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -69.51 -17.89 63.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.311 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.414 ' N ' ' O ' ' A' ' 11' ' ' LYS . 2.5 ttt180 -72.63 -21.94 61.03 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.723 0.297 . . . . 0.0 111.066 -179.646 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 43.1 m95 -97.02 -100.23 0.19 Allowed 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.875 179.652 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 42.25 72.04 0.19 Allowed 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 121.144 0.497 . . . . 0.0 111.413 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -53.91 -50.35 66.59 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.77 -178.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 41.1 p-10 -97.84 -11.88 22.77 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 111.767 0.284 . . . . 0.0 111.767 -179.594 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 78.33 43.48 12.88 Favored Glycine 0 C--N 1.331 0.28 0 C-N-CA 120.535 -0.84 . . . . 0.0 111.9 -179.294 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 32.3 p-10 -93.1 -12.62 30.04 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 111.855 0.317 . . . . 0.0 111.855 -179.488 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 81.69 20.83 62.92 Favored Glycine 0 C--N 1.332 0.309 0 C-N-CA 120.533 -0.842 . . . . 0.0 112.523 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.563 ' HB1' ' HB2' ' A' ' 74' ' ' SER . . . -153.92 173.35 16.07 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.654 0.264 . . . . 0.0 110.561 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 43.2 mt -113.89 115.13 27.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.8 0.333 . . . . 0.0 110.307 179.435 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -114.24 171.29 7.7 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.08 0.467 . . . . 0.0 110.425 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 8.4 ttt-85 -64.44 -32.06 73.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.568 179.617 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.11 -21.46 64.04 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.681 -0.691 . . . . 0.0 111.618 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.01 -32.48 70.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.798 0.332 . . . . 0.0 110.156 179.797 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 73.6 m-85 -78.4 -40.88 34.76 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.367 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 -62.25 -37.71 86.48 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.63 -0.259 . . . . 0.0 110.408 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -65.89 -44.4 85.39 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.967 0.413 . . . . 0.0 110.115 179.505 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.422 ' O ' HG12 ' A' ' 36' ' ' ILE . 0.6 OUTLIER -52.45 -53.15 49.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.512 179.834 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -50.44 -51.55 45.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.809 0.338 . . . . 0.0 110.734 179.48 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.54 -49.39 77.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.162 179.539 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 35.5 t-80 -51.99 -27.1 12.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.374 179.668 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.422 HG12 ' O ' ' A' ' 32' ' ' GLU . 17.6 mm -79.23 -53.45 13.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.023 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -46.12 -44.65 15.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.607 -179.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.77 -40.99 97.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.616 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -54.4 -24.15 18.66 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.722 0.296 . . . . 0.0 110.858 -179.367 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -91.85 5.05 51.42 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.496 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 57.7 16.69 24.38 Favored Glycine 0 C--N 1.336 0.538 0 C-N-CA 120.85 -0.69 . . . . 0.0 112.776 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.85 -153.3 0.35 Allowed 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 110.34 -0.244 . . . . 0.0 110.34 179.73 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -70.51 -163.5 0.07 Allowed 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.863 0.363 . . . . 0.0 111.088 -179.592 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.449 ' O ' HG11 ' A' ' 49' ' ' VAL . . . -141.4 -58.93 0.49 Allowed 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 178.131 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -92.94 22.8 32.24 Favored Glycine 0 N--CA 1.453 -0.222 0 CA-C-N 114.962 -1.017 . . . . 0.0 112.08 179.591 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.55 -163.76 0.06 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 117.343 0.571 . . . . 0.0 110.894 179.51 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -83.66 -51.77 7.0 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.848 0.356 . . . . 0.0 110.681 179.379 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.409 ' O ' HG22 ' A' ' 51' ' ' THR . 3.5 mp0 -54.48 -34.38 61.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.229 -179.549 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.449 HG11 ' O ' ' A' ' 44' ' ' ALA . 3.2 t -77.72 -43.1 29.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.004 179.569 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.08 -44.61 95.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.224 178.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.445 HG23 ' N ' ' A' ' 52' ' ' LEU . 14.4 t -61.62 -49.81 75.1 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.084 179.749 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.445 ' N ' HG23 ' A' ' 51' ' ' THR . 9.4 tp -53.89 -58.75 6.11 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 179.536 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.46 -37.41 56.98 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.353 179.038 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -57.66 -41.5 81.64 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.923 0.392 . . . . 0.0 110.231 179.669 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.71 -40.2 84.29 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.944 179.487 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -59.95 -32.8 71.15 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -62.81 -49.56 71.7 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.535 -0.84 . . . . 0.0 112.096 179.731 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -57.93 -33.93 70.28 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.717 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.45 ' O ' HD23 ' A' ' 59' ' ' LEU . 6.3 tt -55.65 -38.71 69.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.948 0.404 . . . . 0.0 110.481 179.69 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 37.5 t80 -62.18 -46.49 88.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.089 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -42.57 -48.61 5.4 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.495 -179.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.471 ' CE1' ' OE1' ' A' ' 66' ' ' GLU . 4.4 t80 -57.77 -37.98 74.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.103 -179.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 20.5 mt -66.47 -59.3 3.79 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.832 0.349 . . . . 0.0 110.956 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.813 ' HB1' ' O ' ' A' ' 69' ' ' VAL . . . -50.36 -46.21 55.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.816 -179.565 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.87 -51.1 61.64 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.939 0.399 . . . . 0.0 111.05 -179.793 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.471 ' OE1' ' CE1' ' A' ' 62' ' ' TYR . 2.6 tp10 -62.32 -40.65 97.05 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.886 179.649 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -79.09 -26.06 43.01 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.686 -179.56 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 103.16 4.37 47.6 Favored Glycine 0 CA--C 1.519 0.323 0 C-N-CA 120.527 -0.844 . . . . 0.0 113.857 179.066 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.813 ' O ' ' HB1' ' A' ' 64' ' ' ALA . 32.5 m -104.75 171.52 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.936 0.368 . . . . 0.0 110.565 179.531 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -88.24 -179.39 46.93 Favored Glycine 0 C--N 1.331 0.3 0 C-N-CA 120.837 -0.697 . . . . 0.0 113.978 -178.588 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.95 -12.64 52.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.402 -0.399 . . . . 0.0 111.153 178.296 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -113.45 13.89 18.99 Favored 'General case' 0 CA--C 1.53 0.175 0 N-CA-C 111.509 0.189 . . . . 0.0 111.509 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -94.54 -165.93 36.23 Favored Glycine 0 C--N 1.331 0.276 0 C-N-CA 120.451 -0.881 . . . . 0.0 112.809 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.563 ' HB2' ' HB1' ' A' ' 23' ' ' ALA . 0.1 OUTLIER -142.31 154.35 44.62 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.14 0.495 . . . . 0.0 111.729 -179.128 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -113.62 137.93 50.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.064 179.205 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 56.9 p -85.59 167.2 15.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.658 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -58.85 -50.83 72.51 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.045 0.45 . . . . 0.0 110.508 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -58.12 -32.78 68.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.648 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -73.62 -42.5 61.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.087 179.125 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -53.31 -52.76 58.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.964 179.513 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.943 HG23 HD13 ' A' ' 9' ' ' LEU . 56.7 mt -53.47 -51.57 40.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.766 -179.42 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 93.4 mtt180 -55.85 -54.35 45.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.618 -179.555 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 45.1 t -70.58 -35.89 63.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 C-N-CA 120.965 -0.294 . . . . 0.0 111.277 -179.557 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 28.9 m -61.78 -47.91 83.03 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 179.249 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -46.06 -57.39 4.49 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.111 179.343 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.433 ' O ' ' N ' ' A' ' 90' ' ' GLU . 0.9 OUTLIER -59.74 -35.91 75.54 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.372 -179.849 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.1 mt -58.94 -45.21 91.01 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.884 0.374 . . . . 0.0 110.586 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 5.2 mt -74.39 -38.86 47.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.523 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 -91.27 -79.15 0.37 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 86' ' ' ASN . 1.7 tt0 -57.19 -159.51 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.948 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 68.3 -89.2 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.767 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 129.8 -179.89 16.48 Favored Glycine 0 C--N 1.331 0.298 0 C-N-CA 120.105 -1.045 . . . . 0.0 113.42 179.678 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -60.44 -65.18 0.73 Allowed 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.192 0.442 . . . . 0.0 112.192 -179.533 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -55.07 -18.28 5.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.769 -0.65 . . . . 0.0 112.641 -178.393 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 65.2 m -77.1 -46.5 23.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.975 0.417 . . . . 0.0 110.385 179.568 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -71.5 -40.12 70.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.905 179.487 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 23.8 t30 -68.69 -36.25 78.24 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.005 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 66.4 ttt180 -63.01 -60.49 3.38 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.561 -179.519 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 46.3 t -76.0 -35.84 30.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 N-CA-C 112.489 0.552 . . . . 0.0 112.489 -178.31 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 9.9 tp -88.97 -25.97 21.75 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 119.668 -0.813 . . . . 0.0 111.922 -178.169 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.429 ' N ' ' HD2' ' A' ' 102' ' ' PRO . . . -42.56 -62.59 2.15 Favored Glycine 0 CA--C 1.52 0.397 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.457 179.531 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.429 ' HD2' ' N ' ' A' ' 101' ' ' GLY . 26.9 Cg_endo -61.52 -16.57 48.67 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.902 2.402 . . . . 0.0 112.152 179.261 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 89.0 t -80.57 -51.75 15.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.164 179.708 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.538 ' O ' HG23 ' A' ' 108' ' ' VAL . 5.6 t -69.7 -34.5 61.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.134 179.013 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.41 ' HB2' ' O ' ' A' ' 101' ' ' GLY . 1.0 OUTLIER -56.7 -54.27 48.14 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.324 179.082 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -46.92 -37.84 9.8 Favored Glycine 0 C--N 1.331 0.263 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.119 179.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.441 HD12 HD11 ' A' ' 174' ' ' LEU . 5.9 mt -74.36 -39.79 49.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.841 0.353 . . . . 0.0 111.09 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.853 HG13 HD11 ' A' ' 119' ' ' ILE . 85.9 t -62.8 -34.1 63.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.626 179.764 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -60.86 -38.76 95.85 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.107 179.493 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 22.2 mtp -79.79 -25.15 41.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.747 0.308 . . . . 0.0 110.23 179.5 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 49.2 t -92.37 42.49 1.1 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.176 0.512 . . . . 0.0 111.388 -178.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -167.41 109.15 0.63 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.475 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.03 3.36 54.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.375 178.751 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -103.98 -15.5 15.6 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-O 120.566 0.222 . . . . 0.0 110.925 179.721 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . 65.34 58.49 0.85 Allowed 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 112.076 0.398 . . . . 0.0 112.076 179.247 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 52.8 p-10 -115.65 -13.9 11.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.259 179.393 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 79.6 10.1 86.18 Favored Glycine 0 C--N 1.333 0.379 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.988 179.74 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -123.33 163.11 21.4 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.01 0.434 . . . . 0.0 111.385 -179.395 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.853 HD11 HG13 ' A' ' 108' ' ' VAL . 34.5 mm -109.95 100.4 10.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.33 -179.633 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . 0.405 ' O ' ' N ' ' A' ' 123' ' ' GLU . 1.1 m120 -83.43 160.85 21.48 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 179.389 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -51.32 -36.95 45.14 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.8 0.333 . . . . 0.0 110.574 -179.511 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.79 -26.04 64.08 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 178.693 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 120' ' ' ASN . 7.4 mt-10 -83.52 -47.71 11.04 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.317 -0.401 . . . . 0.0 109.926 178.796 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . 0.551 ' O ' HD12 ' A' ' 128' ' ' LEU . 2.7 t80 -57.63 -46.9 83.54 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.96 0.41 . . . . 0.0 110.567 179.61 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -57.24 -47.03 82.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.961 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -54.23 -31.92 54.54 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.648 -179.577 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 27.2 t90 -82.94 -42.07 18.08 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 111.999 0.37 . . . . 0.0 111.999 -178.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.743 HD22 ' HA ' ' A' ' 138' ' ' ALA . 0.7 OUTLIER -60.24 -44.16 95.48 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.71 0.29 . . . . 0.0 111.329 -179.255 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . 0.44 ' HA ' ' O ' ' A' ' 133' ' ' MET . 0.6 OUTLIER -71.09 -22.26 62.12 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.771 -0.372 . . . . 0.0 110.408 179.207 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -67.93 -38.82 83.34 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.989 179.354 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 14.4 mt -86.85 -1.75 58.04 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -178.506 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 110.01 26.72 4.84 Favored Glycine 0 CA--C 1.518 0.255 0 C-N-CA 120.007 -1.092 . . . . 0.0 113.862 178.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' MET . . . . . 0.44 ' O ' ' HA ' ' A' ' 129' ' ' THR . 9.4 mmt -103.23 153.94 19.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 117.309 0.554 . . . . 0.0 110.56 179.394 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 13.6 t -82.01 156.87 24.43 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.797 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.58 -22.38 65.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.721 0.296 . . . . 0.0 111.515 -179.438 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -81.36 -27.2 34.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.946 0.403 . . . . 0.0 110.968 179.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -72.34 -39.9 67.81 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.63 -179.284 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . 0.743 ' HA ' HD22 ' A' ' 128' ' ' LEU . . . -60.37 -54.94 39.59 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.981 0.42 . . . . 0.0 110.643 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -49.38 -42.91 43.55 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.238 179.572 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -69.8 -49.71 50.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.689 -179.421 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -61.69 -36.23 80.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.607 -178.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' PHE . . . . . 0.558 ' O ' HG12 ' A' ' 145' ' ' VAL . 40.3 t80 -55.6 -58.73 6.59 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.09 179.714 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -58.19 -34.17 70.07 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 116.016 -0.538 . . . . 0.0 112.221 -179.633 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -65.58 -39.09 91.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.147 -0.479 . . . . 0.0 112.061 -178.731 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 0.878 HG13 HD21 ' A' ' 153' ' ' LEU . 8.7 p -83.48 -33.96 10.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.201 -0.454 . . . . 0.0 112.173 -178.094 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.56 77.69 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.322 -179.008 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . 0.456 ' N ' ' O ' ' A' ' 145' ' ' VAL . 1.4 m -58.85 -32.23 69.23 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.882 -0.599 . . . . 0.0 112.132 179.478 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' ASN . . . . . 0.417 ' ND2' ' OE1' ' A' ' 157' ' ' GLU . 49.4 p30 -94.57 2.69 55.66 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 -178.006 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 40.7 35.77 0.95 Allowed Glycine 0 C--N 1.332 0.349 0 C-N-CA 121.081 -0.581 . . . . 0.0 113.42 179.55 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 27.6 p-10 -91.65 -6.04 52.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.677 0.275 . . . . 0.0 111.405 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 85.83 7.34 81.33 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.734 -0.746 . . . . 0.0 113.35 179.147 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -135.17 135.99 41.49 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 117.287 0.543 . . . . 0.0 111.143 -179.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.878 HD21 HG13 ' A' ' 145' ' ' VAL . 8.1 mt -101.71 105.54 16.46 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.828 179.264 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.03 169.31 10.52 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.163 0.506 . . . . 0.0 111.761 -179.606 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 155' ' ' LEU . . . . . 0.4 ' O ' ' HB2' ' A' ' 158' ' ' LEU . 6.3 tp -51.07 -45.56 61.44 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.178 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.12 -55.83 28.23 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.255 -179.52 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 157' ' ' GLU . . . . . 0.417 ' OE1' ' ND2' ' A' ' 148' ' ' ASN . 5.8 mt-10 -65.41 -13.67 59.19 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 -178.698 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . 0.531 HD11 HG13 ' A' ' 119' ' ' ILE . 0.4 OUTLIER -71.33 -39.01 71.64 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.041 0.448 . . . . 0.0 110.325 179.282 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 1.3 mt -71.9 -40.58 68.74 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.351 179.741 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 29.5 p -53.27 -27.97 25.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.97 179.313 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -66.81 -47.59 71.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.54 -0.754 . . . . 0.0 110.904 179.052 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 162' ' ' VAL . . . . . 0.508 HG13 ' HB3' ' A' ' 173' ' ' GLU . 19.2 t -50.88 -62.91 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.833 -0.622 . . . . 0.0 111.437 -179.597 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.08 149.08 0.99 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.394 -179.751 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 3.2 t70 70.08 49.4 0.48 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.286 179.443 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 165' ' ' PHE . . . . . 0.454 ' CB ' ' HG2' ' A' ' 173' ' ' GLU . 45.1 p90 -107.63 -23.65 12.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.555 179.475 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . 0.452 ' NE2' ' HA ' ' A' ' 5' ' ' ALA . 4.3 t-160 -60.89 -69.0 0.25 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.562 -179.822 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 167' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -87.2 113.03 22.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.035 0.445 . . . . 0.0 111.411 -179.237 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . 42.92 72.68 0.29 Allowed Glycine 0 C--N 1.332 0.336 0 CA-C-N 115.833 -0.621 . . . . 0.0 112.959 179.61 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 169' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.87 -178.3 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.813 0.34 . . . . 0.0 110.772 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -114.0 -14.01 12.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.348 -179.814 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . 0.784 ' O ' HG13 ' A' ' 172' ' ' VAL . 1.8 t70 -166.36 -72.99 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.522 0.201 . . . . 0.0 110.759 179.717 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 172' ' ' VAL . . . . . 0.784 HG13 ' O ' ' A' ' 171' ' ' ASP . 0.0 OUTLIER 173.82 33.97 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.691 179.698 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 173' ' ' GLU . . . . . 0.508 ' HB3' HG13 ' A' ' 162' ' ' VAL . 0.3 OUTLIER 48.54 -175.2 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.718 0.295 . . . . 0.0 110.828 179.748 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 174' ' ' LEU . . . . . 0.557 HD13 ' C ' ' A' ' 174' ' ' LEU . 3.2 tm? -84.9 -35.4 22.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.62 179.723 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 175' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.42 -31.7 69.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.655 179.799 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.081 0 CA-C-O 118.389 -1.228 . . . . 0.0 112.478 -179.977 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 500' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 501' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 502' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 41.2 p . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.828 0.347 . . . . 0.0 111.173 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.434 ' O ' ' HB2' ' A' ' 3' ' ' ALA . 14.8 t -59.66 143.31 50.94 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.406 -179.588 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.434 ' HB2' ' O ' ' A' ' 2' ' ' THR . . . 176.76 -79.03 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.098 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 29.0 mt -77.6 -30.54 16.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.533 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.05 -42.82 99.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.867 -179.182 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -61.15 -55.51 31.52 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.718 -179.429 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -46.92 -51.61 16.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.002 -0.544 . . . . 0.0 112.402 -178.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.35 -45.02 93.13 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 111.813 0.301 . . . . 0.0 111.813 -178.699 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.87 HD12 HG23 ' A' ' 81' ' ' ILE . 11.8 mt -75.39 -27.92 59.26 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.655 0.264 . . . . 0.0 111.547 -179.183 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -61.05 -55.99 26.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.665 0.269 . . . . 0.0 110.993 -179.574 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.417 ' O ' ' HB2' ' A' ' 15' ' ' ARG . 0.1 OUTLIER -56.32 -46.7 79.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.537 -0.302 . . . . 0.0 111.093 -179.803 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -45.64 -28.47 0.99 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.918 0.39 . . . . 0.0 110.992 179.635 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 43.2 t80 -74.58 -59.1 2.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.079 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -70.06 -25.83 63.73 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.888 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.417 ' HB2' ' O ' ' A' ' 11' ' ' LYS . 0.1 OUTLIER -73.13 -16.94 61.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.539 -0.301 . . . . 0.0 111.026 179.932 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.401 ' CH2' ' CE2' ' A' ' 29' ' ' PHE . 2.9 t90 -108.3 14.14 25.12 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 111.773 0.286 . . . . 0.0 111.773 -179.76 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.87 77.64 5.33 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.976 0.417 . . . . 0.0 110.003 179.257 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -54.78 -50.59 68.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.673 -178.827 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 15.1 p-10 -97.35 -14.18 21.42 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 111.643 0.238 . . . . 0.0 111.643 -179.567 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 77.18 45.61 11.29 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.5 -0.857 . . . . 0.0 112.042 -179.587 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 38.7 p-10 -92.04 -10.22 39.95 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 111.777 0.288 . . . . 0.0 111.777 -179.456 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 79.34 20.49 69.33 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.53 -0.843 . . . . 0.0 112.187 -179.633 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -154.08 179.3 9.06 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.1 tp -115.46 117.56 30.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.897 0.38 . . . . 0.0 111.056 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -114.69 168.07 10.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.424 179.79 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 56.7 ttt180 -69.09 -29.68 67.82 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.391 -179.487 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.37 -18.28 64.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.282 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.48 -27.37 62.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.996 0.426 . . . . 0.0 110.114 179.22 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.401 ' CE2' ' CH2' ' A' ' 16' ' ' TRP . 37.1 m-85 -78.0 -40.83 37.84 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.179 -179.506 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -65.65 -36.94 85.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.366 179.442 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.57 -45.32 79.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.953 0.406 . . . . 0.0 110.42 179.419 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.449 ' OE1' ' CE2' ' A' ' 56' ' ' PHE . 2.1 tm-20 -51.07 -57.03 9.74 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.292 179.773 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.514 ' HB3' ' HG2' ' A' ' 53' ' ' LYS . . . -51.0 -45.8 61.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.053 0.454 . . . . 0.0 110.343 179.37 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.42 ' CG ' ' HE3' ' A' ' 53' ' ' LYS . 2.3 mm100 -61.85 -52.86 62.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.734 -0.667 . . . . 0.0 109.915 179.136 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 8.8 t60 -55.69 -29.9 60.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.495 179.74 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.459 ' O ' ' HB3' ' A' ' 39' ' ' ALA . 17.0 mm -78.12 -54.6 12.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.825 179.795 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -43.97 -48.26 8.62 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.708 0.29 . . . . 0.0 111.341 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.78 -36.25 71.91 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 179.204 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.459 ' HB3' ' O ' ' A' ' 36' ' ' ILE . . . -58.77 -33.76 70.65 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 178.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -90.13 2.59 55.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.702 179.089 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.415 ' O ' ' HB2' ' A' ' 42' ' ' LYS . . . 71.61 -148.77 44.06 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 121.041 -0.599 . . . . 0.0 112.738 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.415 ' HB2' ' O ' ' A' ' 41' ' ' GLY . 12.9 mttt 69.29 -99.02 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 122.717 0.407 . . . . 0.0 111.544 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -170.68 133.58 1.0 Allowed 'General case' 0 C--O 1.232 0.14 0 C-N-CA 120.726 -0.39 . . . . 0.0 111.702 -179.439 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.568 ' O ' HG11 ' A' ' 49' ' ' VAL . . . -68.49 -9.34 48.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.598 179.712 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -102.44 14.41 56.62 Favored Glycine 0 C--N 1.332 0.352 0 C-N-CA 120.526 -0.845 . . . . 0.0 113.578 -179.002 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.87 -171.42 0.14 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.906 0.384 . . . . 0.0 110.863 179.575 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -88.9 -45.0 10.05 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.007 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -63.92 -20.06 65.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.955 -0.566 . . . . 0.0 112.167 -178.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.568 HG11 ' O ' ' A' ' 44' ' ' ALA . 8.4 p -76.48 -43.19 35.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 C-N-CA 120.575 -0.45 . . . . 0.0 109.802 179.506 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.435 ' N ' HG13 ' A' ' 49' ' ' VAL . 60.0 tp60 -60.04 -42.72 95.05 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 178.505 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 94.1 m -57.75 -56.3 23.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.596 178.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 31.2 tp -50.33 -60.56 2.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.205 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.514 ' HG2' ' HB3' ' A' ' 33' ' ' ALA . 12.9 mtpt -50.93 -39.3 54.35 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.754 -0.203 . . . . 0.0 110.69 179.517 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -59.55 -42.18 91.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.725 0.298 . . . . 0.0 110.464 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.05 -37.8 78.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.978 0.418 . . . . 0.0 110.577 179.095 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.451 ' HD2' ' HB2' ' A' ' 33' ' ' ALA . 0.5 OUTLIER -64.28 -32.15 73.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.741 179.753 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -66.53 -51.6 41.05 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.444 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -54.75 -31.94 54.25 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.583 -0.818 . . . . 0.0 112.713 -179.676 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.56 HD11 ' CD2' ' A' ' 100' ' ' LEU . 0.5 OUTLIER -58.33 -38.12 76.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.663 0.268 . . . . 0.0 110.733 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.401 ' O ' ' N ' ' A' ' 63' ' ' LEU . 46.2 t80 -59.72 -47.65 84.81 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 179.526 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -42.17 -48.9 4.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.415 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.412 ' O ' ' HB2' ' A' ' 66' ' ' GLU . 87.1 t80 -58.68 -36.08 73.62 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.929 0.395 . . . . 0.0 110.474 179.525 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.458 ' HB3' HD21 ' A' ' 75' ' ' LEU . 24.2 mt -64.6 -55.98 16.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.837 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.851 ' HB1' ' O ' ' A' ' 69' ' ' VAL . . . -54.82 -45.95 74.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.86 0.362 . . . . 0.0 111.307 179.693 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 27.0 ttpt -64.77 -53.94 39.14 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.973 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.412 ' HB2' ' O ' ' A' ' 62' ' ' TYR . 6.2 tm-20 -61.92 -41.22 97.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.025 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.414 ' HB2' HD23 ' A' ' 75' ' ' LEU . . . -77.87 -27.1 49.63 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.825 0.345 . . . . 0.0 111.583 -179.617 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 103.22 0.43 47.6 Favored Glycine 0 CA--C 1.521 0.454 0 C-N-CA 120.501 -0.857 . . . . 0.0 114.049 179.08 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.851 ' O ' ' HB1' ' A' ' 64' ' ' ALA . 29.5 m -101.27 173.04 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.962 0.381 . . . . 0.0 110.421 179.63 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -86.68 177.19 48.27 Favored Glycine 0 C--N 1.331 0.297 0 C-N-CA 120.88 -0.676 . . . . 0.0 114.487 -178.072 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 69.3 m -64.52 -15.6 61.17 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.21 -0.495 . . . . 0.0 110.983 178.247 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -110.66 13.25 22.52 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.005 179.638 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -96.21 -163.5 33.34 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.694 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -143.6 156.37 44.56 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.991 0.425 . . . . 0.0 111.341 -179.681 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.458 HD21 ' HB3' ' A' ' 63' ' ' LEU . 2.7 mp -118.78 140.01 50.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.062 179.317 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 54.5 p -85.53 176.03 8.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.854 0.359 . . . . 0.0 111.374 -179.512 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -65.72 -48.88 70.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.963 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -58.99 -34.62 72.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.659 179.695 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -74.34 -43.74 55.35 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.08 0.467 . . . . 0.0 110.404 179.373 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.473 ' CE1' ' OG1' ' A' ' 84' ' ' THR . 34.0 t80 -51.58 -57.54 8.83 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.735 179.444 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.87 HG23 HD12 ' A' ' 9' ' ' LEU . 9.1 mt -53.43 -44.22 54.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.566 -179.458 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 2.6 tpp180 -59.46 -56.71 18.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.789 -179.689 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 13.1 p -71.04 -35.89 61.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 N-CA-C 111.873 0.324 . . . . 0.0 111.873 -179.234 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.473 ' OG1' ' CE1' ' A' ' 80' ' ' PHE . 95.1 m -63.37 -45.57 90.54 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.846 0.355 . . . . 0.0 110.714 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.83 -43.55 90.68 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.998 -0.547 . . . . 0.0 112.195 -179.174 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.436 ' O ' ' N ' ' A' ' 90' ' ' GLU . 1.7 m-80 -56.87 -39.5 74.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.768 -179.383 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.597 HD11 ' CE2' ' A' ' 96' ' ' PHE . 0.6 OUTLIER -60.24 -41.29 92.86 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.731 0.301 . . . . 0.0 111.409 -179.61 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.401 ' N ' ' HG ' ' A' ' 87' ' ' LEU . 4.9 mt -71.96 -46.96 57.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.915 0.388 . . . . 0.0 111.18 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -88.44 -72.6 0.53 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.48 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 86' ' ' ASN . 1.4 tp10 -63.88 -159.77 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.332 179.237 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 7.6 mm100 63.44 -88.73 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.059 179.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 142.98 170.74 13.06 Favored Glycine 0 C--N 1.334 0.457 0 C-N-CA 120.396 -0.907 . . . . 0.0 113.184 179.692 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.57 -56.1 25.57 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 121.113 0.482 . . . . 0.0 111.254 -179.826 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.4 ' O ' ' HB2' ' A' ' 98' ' ' ARG . . . -57.92 -15.34 8.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.533 -0.758 . . . . 0.0 112.442 -178.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -77.22 -44.65 29.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.86 0.362 . . . . 0.0 110.62 179.636 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.597 ' CE2' HD11 ' A' ' 87' ' ' LEU . 1.9 t80 -68.67 -43.67 75.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.896 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -67.83 -37.0 81.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.158 -179.669 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.4 ' HB2' ' O ' ' A' ' 94' ' ' ALA . 71.5 ttt180 -63.98 -64.33 0.92 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.814 -179.338 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 5.5 p -69.42 -39.41 78.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 N-CA-C 112.756 0.65 . . . . 0.0 112.756 -178.004 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.909 HD13 ' HB ' ' A' ' 103' ' ' VAL . 0.2 OUTLIER -87.69 -25.9 23.25 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 120.093 -0.643 . . . . 0.0 111.915 -177.623 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.448 ' N ' ' HD2' ' A' ' 102' ' ' PRO . . . -42.59 -60.63 2.78 Favored Glycine 0 CA--C 1.521 0.456 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.715 179.603 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.448 ' HD2' ' N ' ' A' ' 101' ' ' GLY . 30.0 Cg_endo -62.26 -15.5 44.98 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.693 2.262 . . . . 0.0 112.167 179.476 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.909 ' HB ' HD13 ' A' ' 100' ' ' LEU . 89.5 t -82.62 -50.88 15.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.786 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.769 HG23 HD12 ' A' ' 100' ' ' LEU . 94.2 t -70.12 -34.61 59.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.959 0.409 . . . . 0.0 110.456 179.214 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 5.5 tttt -54.87 -60.3 3.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.296 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -42.05 -34.39 1.43 Allowed Glycine 0 C--N 1.333 0.401 0 C-N-CA 121.017 -0.611 . . . . 0.0 112.821 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.589 HG21 ' CZ2' ' A' ' 127' ' ' TRP . 26.3 mt -73.61 -40.88 55.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.653 0.263 . . . . 0.0 111.311 -179.751 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.771 HG22 HD11 ' A' ' 119' ' ' ILE . 73.7 t -61.59 -33.95 59.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.703 179.799 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -68.26 -31.98 75.35 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.69 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -80.43 -27.92 37.87 Favored 'General case' 0 C--N 1.332 -0.184 0 O-C-N 122.833 -0.216 . . . . 0.0 111.08 -179.753 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 62.0 m -90.99 -28.63 17.88 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 113.334 0.864 . . . . 0.0 113.334 -177.219 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . 0.438 ' O ' ' HB2' ' A' ' 113' ' ' LYS . 57.5 m-20 -64.26 -73.65 0.12 Allowed 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.011 -0.676 . . . . 0.0 110.201 -179.336 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.438 ' HB2' ' O ' ' A' ' 112' ' ' ASP . 0.0 OUTLIER 83.66 -7.08 1.12 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.435 -178.527 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . 0.553 ' O ' ' HB3' ' A' ' 115' ' ' ALA . 11.0 p30 -107.19 -18.92 13.76 Favored 'General case' 0 CA--C 1.529 0.165 0 N-CA-C 110.132 -0.321 . . . . 0.0 110.132 178.803 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.553 ' HB3' ' O ' ' A' ' 114' ' ' ASN . . . 77.1 54.14 0.04 OUTLIER 'General case' 0 N--CA 1.462 0.133 0 N-CA-C 112.457 0.54 . . . . 0.0 112.457 178.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 47.6 p-10 -115.62 -16.96 11.25 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 121.003 -0.279 . . . . 0.0 111.239 179.562 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 77.29 13.46 83.57 Favored Glycine 0 CA--C 1.519 0.343 0 C-N-CA 120.864 -0.684 . . . . 0.0 113.021 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -125.2 165.76 17.69 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.03 0.443 . . . . 0.0 111.747 -179.182 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.771 HD11 HG22 ' A' ' 108' ' ' VAL . 18.2 mm -112.85 99.95 9.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.778 -179.237 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . 0.406 ' O ' ' N ' ' A' ' 123' ' ' GLU . 2.3 m-80 -83.68 158.37 21.85 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 179.332 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -47.61 -38.13 13.96 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.979 -0.288 . . . . 0.0 111.22 -178.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.33 -28.96 66.69 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 179.205 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 120' ' ' ASN . 12.0 mt-10 -80.99 -44.93 17.39 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 178.678 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . 0.608 ' CE2' HD11 ' A' ' 128' ' ' LEU . 5.6 t80 -55.58 -51.31 67.54 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.978 179.702 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -57.1 -42.26 80.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.079 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -55.61 -33.87 64.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.138 -0.483 . . . . 0.0 112.041 -179.544 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' TRP . . . . . 0.589 ' CZ2' HG21 ' A' ' 107' ' ' ILE . 10.5 t90 -85.84 -41.39 15.05 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 111.922 0.342 . . . . 0.0 111.922 -178.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.608 HD11 ' CE2' ' A' ' 124' ' ' PHE . 0.2 OUTLIER -59.5 -44.54 93.08 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.864 0.364 . . . . 0.0 110.825 -179.585 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 1.7 p -70.05 -25.48 63.57 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.031 -0.532 . . . . 0.0 109.885 178.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . 0.421 ' HB3' ' O ' ' A' ' 127' ' ' TRP . . . -64.92 -37.44 87.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.37 179.132 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 95.7 mt -86.28 -7.26 58.64 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 -178.699 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 112.78 27.12 3.9 Favored Glycine 0 CA--C 1.518 0.28 0 C-N-CA 119.954 -1.117 . . . . 0.0 113.88 178.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' MET . . . . . . . . . . . . . 2.2 mmt -102.4 153.13 20.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 117.27 0.535 . . . . 0.0 110.079 179.041 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -80.78 166.03 21.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.888 0.375 . . . . 0.0 111.134 -179.552 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.07 -19.36 64.08 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.042 -0.527 . . . . 0.0 112.082 -179.022 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -84.95 -25.54 27.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.785 0.326 . . . . 0.0 111.46 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -73.42 -42.4 62.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.683 -179.352 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -58.31 -58.81 6.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.956 0.408 . . . . 0.0 110.589 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -47.33 -43.33 22.71 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.058 179.415 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.54 -48.45 55.42 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.65 -179.553 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -61.75 -36.4 80.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.038 0.447 . . . . 0.0 111.15 -179.307 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' PHE . . . . . 0.537 ' O ' HG12 ' A' ' 145' ' ' VAL . 55.4 t80 -52.41 -59.83 3.96 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.205 179.188 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -58.67 -35.03 71.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.465 -0.789 . . . . 0.0 112.452 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' GLN . . . . . 0.409 HE21 HD12 ' A' ' 170' ' ' LEU . 30.3 mt-30 -67.16 -38.25 85.15 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 -178.754 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 1.054 HG13 HD21 ' A' ' 153' ' ' LEU . 11.9 p -83.1 -34.54 11.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.71 -178.262 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.84 78.12 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.176 -179.452 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . 0.443 ' N ' ' O ' ' A' ' 145' ' ' VAL . 5.9 m -58.19 -28.95 65.27 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.817 179.192 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 39.8 p30 -98.41 1.67 47.09 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.548 0.573 . . . . 0.0 112.548 -178.208 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 38.32 39.01 0.68 Allowed Glycine 0 C--N 1.337 0.621 0 C-N-CA 121.237 -0.506 . . . . 0.0 113.558 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 40.4 p-10 -94.15 -5.66 46.62 Favored 'General case' 0 CA--C 1.531 0.226 0 N-CA-C 111.62 0.23 . . . . 0.0 111.62 -179.694 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 90.06 1.96 75.27 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.489 -0.862 . . . . 0.0 113.517 179.224 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 65.1 mt-10 -133.04 134.26 44.14 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 117.499 0.649 . . . . 0.0 110.804 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 1.054 HD21 HG13 ' A' ' 145' ' ' VAL . 12.3 mt -99.88 104.49 16.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.931 179.572 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -89.3 158.83 17.67 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.919 0.39 . . . . 0.0 111.142 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 155' ' ' LEU . . . . . 0.782 ' HA ' HD12 ' A' ' 158' ' ' LEU . 0.9 OUTLIER -40.95 -41.24 1.58 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.919 -179.615 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 60.6 t0 -57.01 -56.91 15.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.218 0.532 . . . . 0.0 111.387 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -64.28 -14.91 58.77 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.33 -0.85 . . . . 0.0 112.908 -178.391 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . 0.782 HD12 ' HA ' ' A' ' 155' ' ' LEU . 21.4 mt -70.64 -38.73 73.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.674 0.273 . . . . 0.0 110.82 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.498 ' N ' HD23 ' A' ' 159' ' ' LEU . 0.4 OUTLIER -73.08 -39.51 65.78 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.958 0.409 . . . . 0.0 110.349 179.474 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -52.96 -38.46 62.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.041 179.619 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 161' ' ' ALA . . . . . 0.85 ' HB2' ' CG2' ' A' ' 145' ' ' VAL . . . -64.21 -57.65 8.87 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.839 179.301 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 162' ' ' VAL . . . . . 0.535 HG22 ' CB ' ' A' ' 174' ' ' LEU . 4.1 t -52.75 -69.2 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.335 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 19.0 mmt85 42.83 30.18 0.23 Allowed 'General case' 0 N--CA 1.462 0.162 0 CA-C-O 120.881 0.372 . . . . 0.0 111.197 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 1.5 t0 68.16 51.68 0.7 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.648 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 64.74 14.93 9.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.001 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 48.87 -175.62 0.01 OUTLIER 'General case' 0 C--N 1.334 -0.077 0 CA-C-O 120.724 0.297 . . . . 0.0 110.606 -179.627 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 167' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -78.68 100.92 7.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.868 0.366 . . . . 0.0 110.452 179.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . 79.71 1.57 87.05 Favored Glycine 0 CA--C 1.521 0.433 0 C-N-CA 120.752 -0.737 . . . . 0.0 113.011 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 169' ' ' ARG . . . . . . . . . . . . . 33.0 ttt-85 64.06 111.64 0.03 OUTLIER 'General case' 0 C--O 1.232 0.143 0 CA-C-N 116.946 0.373 . . . . 0.0 111.044 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 170' ' ' LEU . . . . . 0.426 ' CG ' ' O ' ' A' ' 170' ' ' LEU . 0.4 OUTLIER -105.56 48.93 0.82 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.094 -179.932 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 68.92 30.65 4.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.91 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -103.8 -94.62 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.399 -179.766 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 59.22 155.01 0.02 OUTLIER 'General case' 0 CA--C 1.528 0.102 0 CA-C-O 120.811 0.339 . . . . 0.0 110.969 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 174' ' ' LEU . . . . . 0.626 HD23 ' N ' ' A' ' 175' ' ' LEU . 6.4 tt -145.03 -73.61 0.24 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.841 179.79 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 175' ' ' LEU . . . . . 0.626 ' N ' HD23 ' A' ' 174' ' ' LEU . 3.7 tp -75.67 115.24 15.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.849 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.408 -1.218 . . . . 0.0 112.465 -179.964 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 500' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 501' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 502' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 63.4 m . . . . . 0 N--CA 1.488 1.45 0 CA-C-O 120.868 0.366 . . . . 0.0 111.472 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 75.4 m -76.54 146.96 38.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.581 179.723 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -52.26 112.4 0.8 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.621 -179.742 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 3.0 mp -76.53 -34.34 24.14 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.781 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.58 -33.6 76.04 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -179.013 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.9 t -60.34 -55.0 38.95 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.755 0.312 . . . . 0.0 111.352 -179.433 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -51.46 -44.5 62.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.285 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.29 -48.96 77.59 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.536 -179.449 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.642 ' CD2' HG21 ' A' ' 84' ' ' THR . 51.5 mt -76.55 -32.8 58.42 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.644 0.259 . . . . 0.0 111.442 -179.191 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.62 -53.33 59.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.78 0.324 . . . . 0.0 110.532 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.7 mttp -60.69 -44.09 96.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.381 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.423 ' NH2' HD12 ' A' ' 175' ' ' LEU . 0.2 OUTLIER -48.24 -29.79 4.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.171 179.654 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -73.96 -61.4 1.86 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.662 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -67.49 -11.75 58.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.182 179.561 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.59 -23.74 59.97 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.744 0.307 . . . . 0.0 110.879 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 2.4 m0 -91.94 -96.25 0.13 Allowed 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.308 -179.637 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 39.55 68.39 0.38 Allowed 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 120.924 0.392 . . . . 0.0 111.514 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.511 ' CE1' ' HB3' ' A' ' 31' ' ' LYS . 0.4 OUTLIER -53.11 -50.99 63.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.645 -179.617 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.5 p30 -96.84 -13.54 22.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.585 -179.628 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.45 45.7 13.6 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.541 -0.838 . . . . 0.0 112.879 179.751 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 16.8 p-10 -93.03 -7.83 44.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 117.234 0.517 . . . . 0.0 111.326 179.64 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 85.28 21.48 54.57 Favored Glycine 0 C--N 1.334 0.434 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.43 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.481 ' HB1' ' HB2' ' A' ' 74' ' ' SER . . . -156.46 173.84 16.31 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.592 0.234 . . . . 0.0 110.406 179.444 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.9 mp -108.31 123.27 48.54 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.671 -0.241 . . . . 0.0 110.949 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -121.01 172.07 8.2 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.353 0.597 . . . . 0.0 111.493 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -68.46 -34.59 76.21 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.793 179.632 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.0 -20.1 66.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.038 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.415 ' O ' ' CE2' ' A' ' 18' ' ' PHE . 0.5 OUTLIER -72.4 -33.21 67.01 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.443 179.802 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -75.24 -39.07 60.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.457 -179.457 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.81 -39.9 95.34 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.636 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.511 ' HB3' ' CE1' ' A' ' 18' ' ' PHE . 0.3 OUTLIER -64.93 -42.71 94.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.673 0.273 . . . . 0.0 110.418 179.629 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -48.7 -61.48 2.01 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.296 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.569 ' HB3' ' HG3' ' A' ' 53' ' ' LYS . . . -43.98 -46.53 8.31 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.088 179.553 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -62.55 -51.1 68.7 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.905 179.167 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -52.73 -31.31 37.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.281 179.775 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 65.3 mt -77.72 -55.6 9.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.654 179.252 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -45.11 -44.23 10.32 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 121.084 0.469 . . . . 0.0 110.999 179.701 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -59.82 -42.39 93.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.252 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -58.37 -24.76 60.82 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.894 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 47.5 m-85 -92.16 3.38 55.44 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.466 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 67.86 14.1 64.95 Favored Glycine 0 C--N 1.335 0.479 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.712 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 17.5 mttp -90.96 158.69 16.58 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.389 0.138 . . . . 0.0 110.793 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.529 ' O ' HG21 ' A' ' 49' ' ' VAL . 0.2 OUTLIER -71.46 130.27 40.87 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.699 0.285 . . . . 0.0 110.708 179.69 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.58 -17.0 64.04 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.697 -179.458 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -105.02 13.63 49.1 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.296 -0.954 . . . . 0.0 113.049 -179.274 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.19 -159.79 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.926 0.393 . . . . 0.0 110.795 179.282 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -91.74 -50.23 5.85 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.24 0.543 . . . . 0.0 110.913 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.412 ' HG3' ' HG2' ' A' ' 110' ' ' MET . 0.0 OUTLIER -58.76 -30.31 67.44 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.33 -0.85 . . . . 0.0 112.525 -178.946 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.529 HG21 ' O ' ' A' ' 43' ' ' ASP . 5.2 t -76.02 -43.44 38.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.219 179.776 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -61.66 -40.92 96.64 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 178.67 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 85.1 m -57.29 -57.87 10.75 Favored 'General case' 0 CA--C 1.522 -0.108 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.213 179.134 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 22.2 tp -51.19 -55.74 16.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.509 -179.507 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.569 ' HG3' ' HB3' ' A' ' 33' ' ' ALA . 8.1 mtpt -51.39 -37.77 49.95 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.741 0.305 . . . . 0.0 110.873 179.528 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 17.3 t30 -60.84 -42.81 98.5 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.873 0.368 . . . . 0.0 110.64 179.707 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.65 -37.89 73.78 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.157 179.633 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -62.36 -31.05 71.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.55 179.708 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -64.07 -52.16 46.96 Favored Glycine 0 N--CA 1.449 -0.455 0 CA-C-N 115.714 -0.675 . . . . 0.0 112.905 -179.624 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -61.37 -27.1 67.18 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.548 -0.834 . . . . 0.0 112.662 -179.686 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.484 HD12 HG21 ' A' ' 103' ' ' VAL . 4.3 tt -55.64 -38.1 69.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.807 0.336 . . . . 0.0 110.914 -179.426 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -62.2 -39.86 94.16 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.849 179.67 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -41.81 -52.94 3.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.516 -179.669 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -58.38 -35.27 71.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.138 -179.659 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 83.3 mt -66.68 -57.97 6.07 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.867 0.365 . . . . 0.0 111.19 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.532 ' HB1' ' O ' ' A' ' 69' ' ' VAL . . . -51.81 -50.72 60.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 0.0 112.137 179.629 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.97 -49.42 74.78 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.848 0.356 . . . . 0.0 111.47 -179.103 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -60.24 -42.59 95.6 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.83 -179.654 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -76.19 -27.94 57.09 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 116.123 -0.49 . . . . 0.0 112.146 -179.379 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 105.56 0.36 40.07 Favored Glycine 0 CA--C 1.522 0.52 0 C-N-CA 120.615 -0.802 . . . . 0.0 113.785 178.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.532 ' O ' ' HB1' ' A' ' 64' ' ' ALA . 35.3 m -102.07 175.56 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 179.482 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -89.17 -179.2 45.6 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.413 -0.899 . . . . 0.0 113.944 -178.546 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 12.3 m -65.38 -13.43 58.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.329 -0.436 . . . . 0.0 111.142 178.158 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -111.22 12.44 21.77 Favored 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 122.187 0.195 . . . . 0.0 111.407 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -94.56 -163.75 35.55 Favored Glycine 0 N--CA 1.446 -0.663 0 C-N-CA 120.274 -0.965 . . . . 0.0 112.194 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.481 ' HB2' ' HB1' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -144.17 156.73 44.44 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.279 0.562 . . . . 0.0 112.007 -179.273 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -116.75 132.15 56.77 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.314 179.58 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 29.5 p -83.9 -179.16 7.2 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.628 0.251 . . . . 0.0 110.872 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 60.8 tt0 -71.44 -52.28 19.35 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.701 0.286 . . . . 0.0 111.197 -179.555 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -55.62 -35.07 65.47 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 179.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -75.15 -42.63 55.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.141 178.694 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 36.7 t80 -53.92 -53.92 45.95 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.792 179.417 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 23.5 mt -53.82 -46.64 63.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.536 -179.302 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.7 -53.25 60.17 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 111.873 0.323 . . . . 0.0 111.873 -179.519 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 14.6 p -72.41 -34.6 49.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.761 0.315 . . . . 0.0 111.33 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.642 HG21 ' CD2' ' A' ' 9' ' ' LEU . 31.1 m -64.13 -48.4 76.22 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.364 179.834 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -52.8 -45.35 67.17 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.075 0.464 . . . . 0.0 111.077 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -58.44 -37.86 76.29 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.913 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.7 mt -58.92 -48.35 81.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.296 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.488 HD12 ' O ' ' A' ' 84' ' ' THR . 2.9 mp -73.32 -45.09 53.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 120.601 0.239 . . . . 0.0 111.07 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -87.87 -75.47 0.41 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.819 0.342 . . . . 0.0 110.989 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.412 ' O ' ' HB2' ' A' ' 91' ' ' GLN . 4.9 mt-10 -64.13 -161.5 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.648 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.428 ' OE1' ' N ' ' A' ' 91' ' ' GLN . 0.0 OUTLIER 66.91 135.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.809 179.836 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -69.69 157.76 53.45 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.561 -179.693 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.04 -57.78 9.22 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.709 0.29 . . . . 0.0 111.719 -179.256 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.437 ' O ' ' CG ' ' A' ' 98' ' ' ARG . . . -60.43 -13.38 13.19 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.336 0.495 . . . . 0.0 112.336 -179.523 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 37.4 m -73.62 -42.61 61.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.873 0.368 . . . . 0.0 110.82 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.685 ' CE1' HD22 ' A' ' 100' ' ' LEU . 10.4 t80 -67.93 -44.87 75.86 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.309 179.681 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -65.09 -39.91 93.84 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.67 -0.696 . . . . 0.0 112.141 -179.35 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.437 ' CG ' ' O ' ' A' ' 94' ' ' ALA . 1.5 mmt-85 -62.57 -63.4 1.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -178.241 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 21.6 t -66.92 -38.31 81.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 113.02 0.748 . . . . 0.0 113.02 -177.472 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.685 HD22 ' CE1' ' A' ' 96' ' ' PHE . 0.5 OUTLIER -88.75 -25.72 22.14 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 119.896 -0.721 . . . . 0.0 112.722 -177.536 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.469 ' N ' ' HD2' ' A' ' 102' ' ' PRO . . . -41.1 -56.71 3.19 Favored Glycine 0 CA--C 1.524 0.647 0 C-N-CA 120.896 -0.668 . . . . 0.0 112.949 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.469 ' HD2' ' N ' ' A' ' 101' ' ' GLY . 57.2 Cg_endo -69.03 -13.74 37.09 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.908 2.406 . . . . 0.0 112.741 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.484 HG21 HD12 ' A' ' 59' ' ' LEU . 46.6 t -79.75 -49.95 18.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 C-N-CA 120.436 -0.506 . . . . 0.0 110.454 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.422 ' O ' HG23 ' A' ' 108' ' ' VAL . 59.3 t -70.53 -34.46 57.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 121.457 0.646 . . . . 0.0 109.67 178.353 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.04 -59.35 4.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.016 -0.993 . . . . 0.0 110.501 179.185 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -44.92 -35.49 4.51 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.906 -0.664 . . . . 0.0 112.35 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 69.0 mt -73.69 -41.67 54.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.606 0.241 . . . . 0.0 111.458 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.906 HG13 HD11 ' A' ' 119' ' ' ILE . 46.4 t -62.17 -34.2 62.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.911 0.386 . . . . 0.0 110.945 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -62.64 -36.33 93.11 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.466 -0.873 . . . . 0.0 112.064 179.612 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . 0.412 ' HG2' ' HG3' ' A' ' 48' ' ' GLU . 1.6 mtm -80.8 -27.6 36.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.871 0.367 . . . . 0.0 110.12 179.507 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 6.5 t -93.98 46.2 1.17 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.062 -178.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -167.38 107.92 0.6 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.254 -0.884 . . . . 0.0 110.371 -179.749 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 1.5 mtpt -94.06 7.77 43.94 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.685 178.08 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . 0.413 ' O ' ' HB3' ' A' ' 115' ' ' ALA . 6.8 p30 -108.66 -24.19 11.46 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.72 0.295 . . . . 0.0 110.785 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.413 ' HB3' ' O ' ' A' ' 114' ' ' ASN . . . 67.97 59.68 0.44 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.302 -0.408 . . . . 0.0 112.037 179.24 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 27.2 p-10 -114.18 -12.71 12.46 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.777 179.13 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 82.91 4.56 89.97 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.618 -0.801 . . . . 0.0 113.232 179.506 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -121.42 166.0 14.74 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-O 121.273 0.559 . . . . 0.0 111.987 -179.35 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.906 HD11 HG13 ' A' ' 108' ' ' VAL . 38.8 mm -111.77 98.99 7.76 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.972 -179.413 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . 0.424 ' O ' ' N ' ' A' ' 123' ' ' GLU . 1.4 m120 -86.01 153.78 21.9 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.738 -0.385 . . . . 0.0 110.053 179.668 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -42.99 -38.9 2.41 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 111.804 0.298 . . . . 0.0 111.804 -178.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 53.2 t0 -69.13 -37.59 78.39 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 179.379 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 120' ' ' ASN . 3.8 mt-10 -73.45 -45.36 54.73 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 178.606 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . 0.441 ' CD1' HG21 ' A' ' 119' ' ' ILE . 1.6 t80 -54.98 -52.78 62.0 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.354 -179.487 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.417 ' HA ' ' HB1' ' A' ' 138' ' ' ALA . . . -54.5 -40.37 68.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.448 -179.48 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -55.57 -33.35 63.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 112.094 -179.332 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' TRP . . . . . 0.471 ' O ' ' HB3' ' A' ' 130' ' ' ALA . 13.3 t90 -86.43 -42.07 13.92 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 111.804 0.298 . . . . 0.0 111.804 -178.858 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.438 HD12 ' O ' ' A' ' 124' ' ' PHE . 0.4 OUTLIER -57.55 -44.11 84.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.907 0.384 . . . . 0.0 110.691 -179.917 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . 0.475 HG22 ' O ' ' A' ' 133' ' ' MET . 1.0 OUTLIER -71.19 -21.62 62.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.38 178.753 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . 0.471 ' HB3' ' O ' ' A' ' 127' ' ' TRP . . . -65.14 -36.54 84.59 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.715 179.39 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 5.7 mt -86.1 3.12 44.0 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 -178.739 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 102.54 29.68 5.85 Favored Glycine 0 C--N 1.332 0.338 0 C-N-CA 120.216 -0.992 . . . . 0.0 113.743 178.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' MET . . . . . 0.475 ' O ' HG22 ' A' ' 129' ' ' THR . 15.1 mmt -103.07 155.98 18.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.956 0.378 . . . . 0.0 110.29 179.419 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 16.6 t -81.79 168.42 18.03 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.956 0.407 . . . . 0.0 111.475 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.95 -14.74 62.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.014 -0.539 . . . . 0.0 112.165 -179.55 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -89.11 -31.23 18.1 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 111.99 0.366 . . . . 0.0 111.99 -179.361 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.03 -38.66 79.3 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 -178.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . 0.417 ' HB1' ' HA ' ' A' ' 125' ' ' ALA . . . -60.23 -59.04 6.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.799 0.333 . . . . 0.0 111.025 -179.84 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -46.92 -41.73 16.47 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.946 0.403 . . . . 0.0 111.414 179.444 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -69.23 -48.21 62.57 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.004 -179.701 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . 0.537 ' O ' HG23 ' A' ' 145' ' ' VAL . . . -64.65 -37.19 86.72 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.975 -0.557 . . . . 0.0 112.04 -179.338 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -55.86 -59.91 4.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.058 0.456 . . . . 0.0 110.631 179.579 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -56.06 -35.05 66.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.961 -179.424 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -66.69 -33.46 75.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.756 -179.194 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 0.575 HG13 ' HB2' ' A' ' 161' ' ' ALA . 48.9 t -83.49 -32.46 9.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 112.314 0.487 . . . . 0.0 112.314 -178.191 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.81 77.73 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.026 0.441 . . . . 0.0 111.149 -179.451 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . 0.469 ' N ' ' O ' ' A' ' 145' ' ' VAL . 1.3 p -56.84 -35.44 68.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.941 179.764 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 37.9 p30 -95.65 6.4 49.03 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 -178.527 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 39.4 31.44 0.21 Allowed Glycine 0 C--N 1.333 0.416 0 C-N-CA 121.199 -0.524 . . . . 0.0 113.689 179.585 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 25.8 p-10 -87.21 -4.51 59.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.882 0.341 . . . . 0.0 111.518 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 87.53 3.89 80.71 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.434 -0.889 . . . . 0.0 113.162 179.311 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -134.11 134.16 41.92 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 117.242 0.521 . . . . 0.0 110.557 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.42 ' HB2' ' HB ' ' A' ' 119' ' ' ILE . 36.3 mt -100.56 104.66 16.02 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.45 179.127 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 2.9 p -88.17 168.0 13.13 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 121.199 0.523 . . . . 0.0 112.305 -179.078 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 4.3 mp -48.55 -45.63 37.8 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.798 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -56.16 -58.54 7.51 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.267 -179.803 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -64.08 -17.26 63.23 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.575 -0.739 . . . . 0.0 112.21 -178.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . 0.931 ' O ' HG23 ' A' ' 162' ' ' VAL . 0.6 OUTLIER -71.83 -70.12 0.35 Allowed 'General case' 0 C--N 1.334 -0.104 0 CA-C-O 120.936 0.398 . . . . 0.0 110.735 179.218 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.467 ' N ' HD23 ' A' ' 159' ' ' LEU . 0.4 OUTLIER -42.11 -38.18 1.62 Allowed 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.155 -179.47 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 31.9 m -54.73 -66.25 0.44 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.996 0.427 . . . . 0.0 110.625 179.399 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 161' ' ' ALA . . . . . 0.575 ' HB2' HG13 ' A' ' 145' ' ' VAL . . . -65.05 -29.16 70.03 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.108 179.616 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 162' ' ' VAL . . . . . 1.116 HG13 HD13 ' A' ' 174' ' ' LEU . 84.4 t -52.64 -85.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.456 -179.385 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -114.97 108.77 17.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.043 0.449 . . . . 0.0 111.814 -179.677 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . 0.443 ' OD1' HG23 ' A' ' 88' ' ' ILE . 0.5 OUTLIER -179.65 40.34 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.635 179.505 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 165' ' ' PHE . . . . . 0.504 ' CD2' ' HG2' ' A' ' 173' ' ' GLU . 25.9 p90 -78.84 108.87 12.61 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-O 121.134 0.492 . . . . 0.0 110.655 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . 0.485 ' O ' ' CG ' ' A' ' 167' ' ' PHE . 12.8 p80 -126.04 89.13 2.97 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.984 179.697 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 167' ' ' PHE . . . . . 0.485 ' CG ' ' O ' ' A' ' 166' ' ' HIS . 28.4 p90 45.01 33.32 1.01 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.491 -179.564 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . 146.86 98.79 0.22 Allowed Glycine 0 C--N 1.335 0.493 0 C-N-CA 120.31 -0.947 . . . . 0.0 113.614 179.442 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 169' ' ' ARG . . . . . 0.553 ' HD3' HD23 ' A' ' 170' ' ' LEU . 0.0 OUTLIER -122.22 -164.14 1.14 Allowed 'General case' 0 N--CA 1.463 0.199 0 CA-C-O 120.872 0.368 . . . . 0.0 110.931 179.086 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 170' ' ' LEU . . . . . 0.553 HD23 ' HD3' ' A' ' 169' ' ' ARG . 0.0 OUTLIER -111.34 -84.86 0.57 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.609 179.866 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . 0.464 ' O ' ' HB ' ' A' ' 172' ' ' VAL . 3.9 t0 -52.87 -24.29 8.82 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.465 179.573 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 172' ' ' VAL . . . . . 0.526 HG23 ' O ' ' A' ' 170' ' ' LEU . 28.6 t 78.95 77.28 0.03 OUTLIER 'Isoleucine or valine' 0 C--O 1.232 0.135 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.053 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 173' ' ' GLU . . . . . 0.504 ' HG2' ' CD2' ' A' ' 165' ' ' PHE . 6.9 mt-10 65.52 178.42 0.2 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.165 179.834 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 174' ' ' LEU . . . . . 1.116 HD13 HG13 ' A' ' 162' ' ' VAL . 11.2 tp -72.29 -60.52 2.19 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.434 179.747 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 175' ' ' LEU . . . . . 0.46 ' H ' HD12 ' A' ' 175' ' ' LEU . 3.0 mp -70.62 166.25 21.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.347 179.588 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.991 0 CA-C-O 118.423 -1.209 . . . . 0.0 112.643 179.961 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 500' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 501' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 502' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . 0.416 ' O ' HG23 ' A' ' 1' ' ' THR . 6.3 t . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.756 0.313 . . . . 0.0 111.112 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 17.6 p 57.27 21.95 7.2 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.134 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -121.97 -79.28 0.61 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.973 0.416 . . . . 0.0 111.159 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 32.5 mm -77.02 -26.43 15.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.051 179.681 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.559 ' O ' HD12 ' A' ' 9' ' ' LEU . . . -63.21 -44.68 94.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.898 -179.439 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.36 -46.53 89.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.734 0.302 . . . . 0.0 111.293 -179.791 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -56.13 -54.81 40.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.289 -0.414 . . . . 0.0 112.114 -179.007 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.58 -42.76 99.32 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.003 0.371 . . . . 0.0 112.003 -178.395 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.717 HD13 HG23 ' A' ' 81' ' ' ILE . 5.2 mt -78.8 -30.78 45.65 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.207 0.447 . . . . 0.0 112.207 -178.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -61.18 -63.59 1.24 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.762 0.315 . . . . 0.0 111.365 -179.42 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.401 ' O ' ' N ' ' A' ' 15' ' ' ARG . 3.1 mmmt -49.22 -46.21 45.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.375 -179.335 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.84 -30.87 1.84 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.869 0.366 . . . . 0.0 110.974 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 44.8 t80 -74.61 -58.53 3.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.136 -179.743 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.75 -13.92 62.53 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.003 179.589 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.401 ' N ' ' O ' ' A' ' 11' ' ' LYS . 48.9 ttt85 -73.1 -24.15 60.6 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 111.79 0.293 . . . . 0.0 111.79 -179.448 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 32.8 m0 -98.21 -92.38 0.25 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.153 -179.302 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 39.56 73.72 0.11 Allowed 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 120.945 0.402 . . . . 0.0 111.544 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.449 ' CE2' ' N ' ' A' ' 32' ' ' GLU . 0.2 OUTLIER -53.19 -50.62 64.29 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.288 -179.314 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 46.1 p30 -98.16 -11.61 22.6 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.187 0.44 . . . . 0.0 112.187 -178.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 72.83 41.72 48.46 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.382 -0.913 . . . . 0.0 111.91 -179.615 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 16.6 p30 -90.5 -7.71 52.28 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 111.874 0.324 . . . . 0.0 111.874 -179.301 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 83.73 21.19 58.36 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.368 -0.92 . . . . 0.0 112.333 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -157.2 176.43 12.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.913 0.387 . . . . 0.0 110.967 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.4 mt -114.63 117.13 30.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.55 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -113.74 170.74 8.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.365 0.602 . . . . 0.0 110.821 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.5 ttm180 -68.18 -34.77 76.91 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.527 179.632 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.61 -19.82 66.06 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.259 179.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.38 -29.31 64.79 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 179.661 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -76.93 -36.67 56.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.012 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -64.19 -45.47 88.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.508 179.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 20.6 mmmt -62.35 -41.71 98.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.832 0.349 . . . . 0.0 110.58 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.449 ' N ' ' CE2' ' A' ' 18' ' ' PHE . 2.5 tt0 -50.51 -62.81 1.37 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.273 179.833 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.525 ' HB2' ' CD2' ' A' ' 56' ' ' PHE . . . -45.54 -47.04 14.36 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.117 0.484 . . . . 0.0 110.964 179.305 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 49.4 tt0 -63.26 -53.75 47.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.159 179.521 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 15.1 t60 -53.48 -23.44 10.2 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.892 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 60.4 mt -86.37 -49.71 14.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.203 179.386 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -48.13 -42.33 29.01 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.52 178.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -60.46 -42.14 95.58 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.471 179.461 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.13 -25.79 67.24 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.54 179.308 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -90.89 0.37 57.51 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.855 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 69.67 13.32 68.52 Favored Glycine 0 CA--C 1.52 0.36 0 C-N-CA 120.461 -0.876 . . . . 0.0 112.964 179.709 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 13.4 mmtp -90.3 159.61 16.57 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.955 0.407 . . . . 0.0 111.596 -179.594 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.97 130.3 38.23 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.253 179.735 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.0 -14.42 62.95 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.523 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -105.38 14.71 47.11 Favored Glycine 0 C--N 1.332 0.335 0 C-N-CA 120.554 -0.831 . . . . 0.0 113.705 -179.014 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.73 -168.22 0.25 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.816 0.341 . . . . 0.0 111.019 179.35 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -90.27 -47.01 8.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.651 179.243 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -62.35 -25.08 67.71 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.384 -179.592 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.499 HG13 ' N ' ' A' ' 50' ' ' GLN . 9.3 p -76.33 -46.61 32.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 179.442 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.499 ' N ' HG13 ' A' ' 49' ' ' VAL . 9.9 tp-100 -60.12 -40.78 90.93 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 178.744 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 65.9 m -59.75 -56.0 27.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.239 178.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 8.7 tp -52.29 -58.84 5.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.205 -179.494 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 53.7 mtpt -51.07 -41.99 60.27 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.443 0.163 . . . . 0.0 110.676 179.455 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -56.94 -40.4 76.32 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.902 0.382 . . . . 0.0 110.051 179.407 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.02 -36.46 77.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.514 179.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.525 ' CD2' ' HB2' ' A' ' 33' ' ' ALA . 1.2 m-85 -64.61 -30.26 71.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.867 -179.647 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -65.99 -48.98 61.24 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.316 179.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -63.67 -31.03 79.4 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.519 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.802 HD13 HG21 ' A' ' 103' ' ' VAL . 2.7 tp -58.48 -39.41 79.89 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 111.524 0.194 . . . . 0.0 111.524 -178.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 20.3 t80 -65.29 -37.54 87.47 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.405 0.145 . . . . 0.0 110.767 179.427 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 50.6 t0 -41.88 -45.62 3.75 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 120.857 0.36 . . . . 0.0 111.348 -179.632 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -59.54 -37.45 78.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.087 179.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 49.9 mt -64.14 -57.93 8.12 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.034 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.652 ' HB1' ' O ' ' A' ' 69' ' ' VAL . . . -52.04 -48.86 64.38 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.306 0.484 . . . . 0.0 112.306 -179.837 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.8 ttmt -63.93 -51.19 65.61 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.925 0.393 . . . . 0.0 111.082 -179.618 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 28.5 tp10 -61.4 -42.45 98.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.235 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.84 51.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.364 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 103.29 -4.3 47.99 Favored Glycine 0 CA--C 1.522 0.469 0 C-N-CA 120.631 -0.795 . . . . 0.0 113.91 178.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.652 ' O ' ' HB1' ' A' ' 64' ' ' ALA . 33.6 m -97.21 173.33 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.946 0.373 . . . . 0.0 110.713 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -86.17 177.36 49.1 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.93 -0.653 . . . . 0.0 114.132 -178.575 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.0 -13.21 44.75 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.042 -0.579 . . . . 0.0 110.836 177.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -112.41 13.2 20.2 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 116.747 -0.206 . . . . 0.0 111.531 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -94.12 -165.72 36.74 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.548 -0.834 . . . . 0.0 112.672 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.0 m -143.59 155.68 44.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.127 0.489 . . . . 0.0 111.726 -179.265 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.423 HD12 ' N ' ' A' ' 75' ' ' LEU . 3.4 mp -119.66 136.94 54.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.696 178.664 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 5.7 p -83.16 -178.18 7.01 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.923 0.392 . . . . 0.0 111.011 -179.745 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -68.07 -48.64 65.01 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.891 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 53.2 mm-40 -58.74 -33.34 70.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.828 179.724 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -72.55 -42.91 64.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.125 0.488 . . . . 0.0 110.15 179.126 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 76.9 t80 -52.39 -58.28 7.2 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.082 179.596 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.717 HG23 HD13 ' A' ' 9' ' ' LEU . 79.2 mt -50.3 -46.65 25.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.531 -179.269 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.7 -52.91 63.48 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.405 -179.833 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 21.5 t -70.35 -35.62 63.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 120.731 0.3 . . . . 0.0 110.927 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 63.3 m -64.31 -48.1 76.89 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.961 0.41 . . . . 0.0 110.391 179.364 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -51.29 -47.52 62.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.013 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 26.2 m120 -61.56 -38.93 89.28 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.824 179.477 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 5.7 mt -58.65 -42.48 88.47 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.601 179.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.405 HG23 ' O ' ' A' ' 163' ' ' ARG . 17.7 mm -74.91 -50.32 25.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.644 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -85.61 -75.71 0.36 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.018 -179.413 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.03 -163.98 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.697 0.284 . . . . 0.0 110.785 179.714 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 71.39 139.62 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.406 -179.581 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -70.39 156.71 53.42 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.983 -179.347 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -54.83 -53.54 54.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.435 0.636 . . . . 0.0 109.595 179.386 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.71 -10.24 25.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 114.921 -1.036 . . . . 0.0 112.161 179.493 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -73.62 -42.67 61.16 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.802 0.334 . . . . 0.0 110.633 -179.498 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -70.72 -41.06 72.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.066 0.46 . . . . 0.0 110.206 179.253 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 -66.17 -39.01 89.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.645 -179.495 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 10.5 mtt180 -65.14 -51.54 60.56 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 -178.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.475 HG12 HD12 ' A' ' 59' ' ' LEU . 2.9 t -81.88 -36.27 14.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 112.338 0.496 . . . . 0.0 112.338 -178.316 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.541 ' HG ' HG23 ' A' ' 104' ' ' VAL . 18.7 tp -90.41 -26.1 20.05 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 119.695 -0.802 . . . . 0.0 111.743 -178.481 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.454 ' N ' ' HD2' ' A' ' 102' ' ' PRO . . . -41.93 -54.55 4.34 Favored Glycine 0 CA--C 1.52 0.378 0 C-N-CA 120.985 -0.626 . . . . 0.0 113.118 179.791 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.454 ' HD2' ' N ' ' A' ' 101' ' ' GLY . 57.3 Cg_endo -71.32 -13.31 30.64 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.593 2.195 . . . . 0.0 112.351 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.802 HG21 HD13 ' A' ' 59' ' ' LEU . 31.5 t -81.2 -51.52 15.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.859 0.361 . . . . 0.0 110.711 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.541 HG23 ' HG ' ' A' ' 100' ' ' LEU . 36.2 t -68.91 -33.88 61.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.08 0.467 . . . . 0.0 110.348 179.203 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.99 -51.96 67.48 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.624 179.34 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -47.66 -36.27 12.52 Favored Glycine 0 C--N 1.332 0.329 0 C-N-CA 120.918 -0.658 . . . . 0.0 112.514 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 52.4 mt -72.21 -40.88 66.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.8 0.333 . . . . 0.0 110.724 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.784 HG21 HD22 ' A' ' 155' ' ' LEU . 85.2 t -63.74 -34.54 68.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.077 179.683 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -59.87 -40.54 96.92 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.253 -0.975 . . . . 0.0 111.728 179.692 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -78.71 -24.82 44.73 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 179.463 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 49.2 t -92.31 44.83 1.18 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.132 0.491 . . . . 0.0 111.21 -179.158 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -165.91 108.77 0.78 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.481 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 12.7 mtpp -93.93 1.39 56.33 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.104 178.31 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . 0.451 ' O ' ' HB3' ' A' ' 115' ' ' ALA . 45.4 p-10 -104.16 -19.05 14.27 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-O 120.792 0.329 . . . . 0.0 110.601 179.43 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.451 ' HB3' ' O ' ' A' ' 114' ' ' ASN . . . 69.11 51.12 0.54 Allowed 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 116.207 -0.451 . . . . 0.0 112.03 179.216 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 35.7 p-10 -107.48 -14.07 14.93 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.666 -0.243 . . . . 0.0 111.201 179.422 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 80.23 9.53 86.48 Favored Glycine 0 CA--C 1.52 0.402 0 C-N-CA 120.84 -0.695 . . . . 0.0 113.229 179.479 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 2.8 mm100 -123.48 162.9 21.95 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 117.16 0.48 . . . . 0.0 111.492 -179.421 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.467 HD11 HG13 ' A' ' 108' ' ' VAL . 37.7 mm -107.98 99.06 7.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.214 -179.759 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . 0.442 ' O ' ' N ' ' A' ' 123' ' ' GLU . 7.5 m-20 -86.07 153.22 22.27 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 179.188 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -45.25 -38.27 5.37 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 111.773 0.286 . . . . 0.0 111.773 -178.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -70.49 -30.14 66.85 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 179.413 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 120' ' ' ASN . 8.6 mt-10 -79.95 -46.77 16.11 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 178.571 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . 0.836 ' CE2' HD11 ' A' ' 128' ' ' LEU . 5.8 t80 -56.31 -43.07 78.59 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.93 0.395 . . . . 0.0 110.809 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -58.21 -45.79 87.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.24 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -53.62 -34.24 57.81 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.956 -179.568 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 18.7 t90 -85.16 -37.75 19.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.858 0.361 . . . . 0.0 111.36 -179.035 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.836 HD11 ' CE2' ' A' ' 124' ' ' PHE . 0.8 OUTLIER -62.6 -47.94 81.6 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.916 -179.777 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 76.5 p -70.21 -21.55 63.01 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.18 -0.463 . . . . 0.0 109.916 178.589 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -65.74 -37.85 87.51 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.241 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 16.2 mt -87.04 -0.66 56.99 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 111.914 0.338 . . . . 0.0 111.914 -179.115 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 106.65 30.27 4.38 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.18 -1.01 . . . . 0.0 113.621 178.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' MET . . . . . . . . . . . . . 16.8 mmt -101.98 153.08 20.2 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 179.065 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -81.53 153.8 26.59 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.9 0.381 . . . . 0.0 111.047 -179.409 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 7.6 mttt -56.52 -20.1 18.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.543 -179.643 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -83.91 -21.69 31.81 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.945 0.402 . . . . 0.0 111.16 179.475 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -75.12 -39.43 60.57 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.239 -179.565 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . 0.798 ' HA ' HD13 ' A' ' 128' ' ' LEU . . . -61.86 -60.72 3.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.983 0.421 . . . . 0.0 110.25 179.577 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -46.66 -45.32 19.17 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.719 179.262 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -69.81 -47.78 61.56 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.932 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . 0.485 ' O ' HG23 ' A' ' 145' ' ' VAL . . . -61.78 -41.63 97.97 Favored 'General case' 0 CA--C 1.519 -0.241 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.639 -179.25 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' PHE . . . . . 0.624 ' CD1' HD12 ' A' ' 153' ' ' LEU . 86.1 t80 -51.01 -57.55 8.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.846 179.71 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 29.3 m120 -58.6 -35.94 73.23 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.626 0.602 . . . . 0.0 112.626 -179.668 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' GLN . . . . . 0.706 HE21 HD12 ' A' ' 170' ' ' LEU . 4.9 mt-30 -64.45 -41.49 96.52 Favored 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -178.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 141' ' ' ALA . 12.5 t -81.9 -29.21 9.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.214 -0.448 . . . . 0.0 112.014 -177.638 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -61.37 78.12 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.31 0 CA-C-O 121.203 0.525 . . . . 0.0 111.156 -179.625 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . 0.456 ' N ' ' O ' ' A' ' 145' ' ' VAL . 1.7 t -54.84 -41.81 71.18 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.464 -0.789 . . . . 0.0 112.722 -179.755 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 42.4 p30 -94.3 6.69 47.92 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.489 0.552 . . . . 0.0 112.489 -178.004 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 37.65 39.8 0.62 Allowed Glycine 0 C--N 1.337 0.615 0 C-N-CA 121.19 -0.529 . . . . 0.0 113.398 179.698 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 40.5 p-10 -93.0 -7.07 46.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.605 0.24 . . . . 0.0 111.487 -179.545 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 95.26 -3.59 66.57 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.619 -0.8 . . . . 0.0 113.207 179.58 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -132.71 135.33 45.72 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-N 117.524 0.662 . . . . 0.0 111.46 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.624 HD12 ' CD1' ' A' ' 142' ' ' PHE . 13.3 mt -102.94 100.85 10.83 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.555 179.211 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 19.5 t -88.82 165.79 14.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.065 0.459 . . . . 0.0 111.765 -179.315 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 155' ' ' LEU . . . . . 0.784 HD22 HG21 ' A' ' 108' ' ' VAL . 0.4 OUTLIER -45.43 -41.74 9.63 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.393 -179.936 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.23 -60.71 3.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.264 0.554 . . . . 0.0 110.994 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -62.94 -16.52 59.59 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.337 -0.847 . . . . 0.0 112.102 -179.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 1.7 mt -70.49 -67.21 0.51 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.096 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 2.1 pp -50.6 -25.36 4.08 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.139 -179.514 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 51.7 m -53.49 -25.44 16.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.543 179.439 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 161' ' ' ALA . . . . . 0.688 ' HB1' HG11 ' A' ' 172' ' ' VAL . . . -65.44 -68.98 0.32 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.917 179.462 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 162' ' ' VAL . . . . . 0.409 ' HB ' ' HB2' ' A' ' 174' ' ' LEU . 7.4 p -54.7 -25.51 15.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.729 -0.669 . . . . 0.0 112.036 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 163' ' ' ARG . . . . . 0.405 ' O ' HG23 ' A' ' 88' ' ' ILE . 30.6 ttm180 -27.23 -42.93 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 -179.109 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . 0.4 ' N ' ' O ' ' A' ' 162' ' ' VAL . 54.4 t0 -173.37 32.96 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 179.599 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 41.95 29.67 0.14 Allowed 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.699 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . 0.522 ' CG ' HD21 ' A' ' 170' ' ' LEU . 78.5 m80 59.12 23.02 11.22 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.857 0.36 . . . . 0.0 111.032 -179.718 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 167' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 58.14 16.83 4.12 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.095 -0.502 . . . . 0.0 112.06 179.3 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 168' ' ' GLY . . . . . 0.438 ' O ' ' CB ' ' A' ' 169' ' ' ARG . . . -156.31 -38.2 0.02 OUTLIER Glycine 0 CA--C 1.517 0.218 0 C-N-CA 120.55 -0.833 . . . . 0.0 112.66 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 169' ' ' ARG . . . . . 0.438 ' CB ' ' O ' ' A' ' 168' ' ' GLY . 27.1 ttp180 84.0 116.3 0.05 OUTLIER 'General case' 0 N--CA 1.467 0.403 0 CA-C-O 121.009 0.433 . . . . 0.0 111.254 179.786 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 170' ' ' LEU . . . . . 0.706 HD12 HE21 ' A' ' 144' ' ' GLN . 0.1 OUTLIER -105.67 -82.19 0.53 Allowed 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.521 -179.715 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 32.8 m-20 -152.29 32.62 0.52 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.646 -179.047 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 172' ' ' VAL . . . . . 0.688 HG11 ' HB1' ' A' ' 161' ' ' ALA . 59.4 t -108.66 -86.15 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 C-N-CA 121.128 -0.229 . . . . 0.0 111.568 -179.795 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 65.07 110.83 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.523 0.201 . . . . 0.0 110.764 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 174' ' ' LEU . . . . . 0.511 HD21 HG22 ' A' ' 104' ' ' VAL . 0.6 OUTLIER -95.63 157.68 15.79 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.757 0.313 . . . . 0.0 110.757 179.702 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 175' ' ' LEU . . . . . . . . . . . . . 28.8 mt 60.36 46.74 9.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.756 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.994 0 CA-C-O 118.316 -1.269 . . . . 0.0 112.202 -179.725 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 500' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 501' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 502' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 2.2 t . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.818 0.342 . . . . 0.0 111.391 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.1 m 69.37 21.61 6.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.191 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -51.78 110.3 0.45 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.971 0.415 . . . . 0.0 111.045 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.471 ' H ' HD12 ' A' ' 4' ' ' ILE . 4.1 mp -81.11 -29.87 11.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.292 179.801 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.556 ' HB2' ' O ' ' A' ' 166' ' ' HIS . . . -62.95 -34.6 77.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.783 -179.522 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.04 -51.41 69.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.929 0.395 . . . . 0.0 110.879 -179.743 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -53.33 -47.74 69.06 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.258 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.59 -47.95 83.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.567 -179.093 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.771 HD13 HG23 ' A' ' 81' ' ' ILE . 1.2 mt -75.87 -28.99 58.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.546 -178.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.48 -58.85 6.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.817 0.341 . . . . 0.0 110.697 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.418 ' O ' ' N ' ' A' ' 15' ' ' ARG . 7.4 mtpt -55.81 -43.3 76.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.973 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -46.05 -33.85 3.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.192 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 17.5 t80 -73.29 -60.04 2.43 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.019 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.74 -12.78 61.9 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.721 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.418 ' N ' ' O ' ' A' ' 11' ' ' LYS . 4.9 mmm-85 -72.31 -22.31 61.21 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.618 0.247 . . . . 0.0 111.285 -179.245 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 8.0 m0 -101.33 -91.72 0.32 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.592 -0.276 . . . . 0.0 111.042 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 41.15 73.92 0.12 Allowed 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.069 0.461 . . . . 0.0 111.331 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -54.39 -51.68 64.07 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.541 -179.141 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -96.66 -13.46 22.79 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -179.023 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 75.9 44.35 19.69 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.426 -0.892 . . . . 0.0 112.135 -179.666 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.57 ' ND2' ' HB3' ' A' ' 23' ' ' ALA . 6.1 p-10 -93.21 -12.3 30.57 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.631 0.234 . . . . 0.0 111.631 -179.663 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 83.55 21.62 57.81 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.527 -0.844 . . . . 0.0 112.146 -179.59 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.57 ' HB3' ' ND2' ' A' ' 21' ' ' ASN . . . -153.77 175.96 12.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.706 0.288 . . . . 0.0 110.338 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -115.43 121.47 42.84 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.831 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -120.64 171.85 8.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.555 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -66.37 -32.34 73.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.384 -179.724 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.69 -20.84 65.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.242 179.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.27 -35.95 71.54 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 179.506 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.423 ' CE2' HD22 ' A' ' 59' ' ' LEU . 47.2 m-85 -77.17 -38.31 51.98 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.88 179.827 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.405 ' HB3' ' HE2' ' A' ' 53' ' ' LYS . 33.3 mt-10 -65.48 -42.55 92.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.147 179.504 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.8 tptt -66.04 -42.54 89.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.936 0.398 . . . . 0.0 110.134 179.542 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -50.82 -59.43 4.12 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.286 179.624 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -46.28 -45.74 17.46 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.172 0.51 . . . . 0.0 110.338 179.444 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -62.21 -52.71 62.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.967 179.124 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 9.0 t60 -56.07 -33.3 64.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.497 179.534 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 13.4 mm -71.8 -55.19 14.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.241 179.219 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.662 ' HB2' HG13 ' A' ' 49' ' ' VAL . . . -43.0 -42.09 3.65 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.416 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.6 -37.27 85.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.677 179.5 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -58.66 -34.74 71.56 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 179.3 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -90.23 3.39 53.67 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.745 179.158 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 70.62 -153.5 51.6 Favored Glycine 0 C--N 1.336 0.53 0 C-N-CA 120.981 -0.628 . . . . 0.0 112.629 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 6.2 mtmt 73.4 -157.44 0.08 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.664 0.268 . . . . 0.0 111.415 179.619 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.568 ' HB2' ' HB2' ' A' ' 46' ' ' ALA . 0.7 OUTLIER -69.42 -157.45 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.265 0 CA-C-O 120.83 0.348 . . . . 0.0 111.862 -178.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -140.33 -58.85 0.54 Allowed 'General case' 0 C--O 1.231 0.124 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 178.295 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -90.3 28.52 7.38 Favored Glycine 0 N--CA 1.452 -0.246 0 CA-C-N 114.766 -1.106 . . . . 0.0 111.9 179.183 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.568 ' HB2' ' HB2' ' A' ' 43' ' ' ASP . . . -71.45 -168.33 0.32 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.826 0.346 . . . . 0.0 111.277 179.508 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -83.12 -51.42 7.53 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.053 179.415 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -55.96 -33.34 64.69 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.652 -179.248 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.662 HG13 ' HB2' ' A' ' 37' ' ' ALA . 1.5 t -77.05 -42.79 32.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 179.764 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -61.04 -40.94 95.54 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 178.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 97.2 m -57.99 -56.57 20.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.21 179.55 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.607 HD11 ' CE2' ' A' ' 56' ' ' PHE . 37.3 tp -50.4 -57.05 8.87 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.846 -0.341 . . . . 0.0 110.212 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.405 ' HE2' ' HB3' ' A' ' 30' ' ' GLU . 5.7 mtpt -50.1 -36.92 31.5 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.018 0.437 . . . . 0.0 110.173 179.011 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -61.04 -45.81 93.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.564 179.363 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.63 -55.77 10.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.857 179.634 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.607 ' CE2' HD11 ' A' ' 52' ' ' LEU . 0.7 OUTLIER -47.44 -29.97 3.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.822 179.781 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -68.05 -52.31 28.81 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 121.009 -0.615 . . . . 0.0 113.127 -179.453 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -54.96 -30.71 54.48 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.831 -179.354 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.423 HD22 ' CE2' ' A' ' 29' ' ' PHE . 7.9 tt -58.12 -33.39 69.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.759 0.279 . . . . 0.0 111.3 -179.44 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.475 ' HA ' HD12 ' A' ' 63' ' ' LEU . 28.1 t80 -61.89 -44.35 96.97 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.873 0.368 . . . . 0.0 110.37 179.592 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -42.35 -49.81 5.11 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.154 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.425 ' CD1' HG21 ' A' ' 99' ' ' VAL . 6.5 t80 -58.79 -41.22 86.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.122 179.812 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.475 HD12 ' HA ' ' A' ' 60' ' ' PHE . 29.3 mt -64.34 -53.74 43.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.902 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.524 ' HB1' ' O ' ' A' ' 69' ' ' VAL . . . -55.71 -50.58 69.95 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 111.855 0.317 . . . . 0.0 111.855 179.444 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.52 -50.22 72.25 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.91 0.386 . . . . 0.0 111.013 -179.51 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -61.47 -39.88 92.49 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.762 179.643 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -78.27 -26.15 47.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.625 -179.613 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 104.05 0.85 45.02 Favored Glycine 0 CA--C 1.52 0.365 0 C-N-CA 120.69 -0.766 . . . . 0.0 113.968 178.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.524 ' O ' ' HB1' ' A' ' 64' ' ' ALA . 31.3 m -102.3 174.22 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 117.158 0.479 . . . . 0.0 110.388 179.552 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -87.7 -179.84 47.63 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.873 -0.68 . . . . 0.0 114.049 -178.686 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.6 m -64.35 -13.04 48.17 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.338 -0.431 . . . . 0.0 111.061 178.231 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 80.8 m-20 -114.03 13.76 18.24 Favored 'General case' 0 C--N 1.333 -0.141 0 N-CA-C 111.703 0.26 . . . . 0.0 111.703 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -94.21 -165.62 36.59 Favored Glycine 0 C--N 1.331 0.264 0 C-N-CA 120.456 -0.878 . . . . 0.0 112.691 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -143.11 155.41 44.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.102 0.477 . . . . 0.0 111.588 -179.515 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.455 HD11 ' HB3' ' A' ' 63' ' ' LEU . 0.2 OUTLIER -117.53 139.56 50.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.07 179.116 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 69.9 p -83.98 -177.4 6.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.755 0.312 . . . . 0.0 111.159 -179.668 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -71.72 -49.57 38.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.625 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -59.44 -32.35 70.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.562 179.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -72.68 -43.2 63.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.141 0.496 . . . . 0.0 110.098 179.169 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.705 ' O ' HG23 ' A' ' 84' ' ' THR . 23.6 t80 -51.48 -56.7 11.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.811 179.463 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.771 HG23 HD13 ' A' ' 9' ' ' LEU . 52.2 mt -54.14 -50.3 55.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.922 -179.464 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.2 ttm180 -56.29 -51.71 67.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.44 -179.387 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 38.5 t -71.99 -39.58 66.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 111.773 0.286 . . . . 0.0 111.773 -179.434 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.705 HG23 ' O ' ' A' ' 80' ' ' PHE . 40.0 p -60.69 -44.35 96.65 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.05 0.452 . . . . 0.0 110.178 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.432 ' HG2' ' NE2' ' A' ' 166' ' ' HIS . 16.6 mt-10 -50.02 -54.44 20.14 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.299 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.414 ' O ' ' N ' ' A' ' 90' ' ' GLU . 11.1 m-20 -57.71 -36.88 72.6 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.294 -179.747 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.6 mt -57.28 -43.03 82.76 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.519 -179.708 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 3.8 mt -72.8 -53.25 19.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.831 0.348 . . . . 0.0 111.139 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 -88.2 -68.74 0.74 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.176 -179.529 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 86' ' ' ASN . 0.8 OUTLIER -57.08 -164.8 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.878 0.37 . . . . 0.0 111.11 -179.91 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 61.0 -83.96 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.037 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . 0.41 ' N ' ' OG ' ' A' ' 95' ' ' SER . . . 135.16 175.71 13.99 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.993 179.775 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.88 -59.95 4.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.099 0.476 . . . . 0.0 111.243 -179.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -57.62 -18.09 18.15 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.708 -0.678 . . . . 0.0 112.139 -179.055 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.41 ' OG ' ' N ' ' A' ' 92' ' ' GLY . 0.0 OUTLIER -78.41 -45.31 22.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.074 0.464 . . . . 0.0 110.674 179.928 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.79 ' CE2' HD22 ' A' ' 100' ' ' LEU . 21.2 t80 -70.46 -40.6 73.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.542 179.716 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -68.34 -35.06 77.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.65 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 5.5 mtm180 -62.75 -56.65 15.65 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -179.199 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.425 HG21 ' CD1' ' A' ' 62' ' ' TYR . 45.4 t -78.81 -36.23 18.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 112.948 0.721 . . . . 0.0 112.948 -177.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.79 HD22 ' CE2' ' A' ' 96' ' ' PHE . 1.6 tp -89.52 -26.06 21.08 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 119.848 -0.741 . . . . 0.0 112.233 -177.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -44.73 -59.17 4.43 Favored Glycine 0 CA--C 1.521 0.462 0 C-N-CA 120.642 -0.79 . . . . 0.0 112.682 179.74 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -63.46 -19.04 67.13 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.85 2.367 . . . . 0.0 112.067 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 73.1 t -79.62 -48.18 21.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.184 179.698 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.593 ' O ' HG23 ' A' ' 108' ' ' VAL . 2.8 t -69.88 -33.93 57.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.948 0.404 . . . . 0.0 110.205 179.27 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.9 -57.17 12.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.476 179.362 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -44.53 -38.48 5.37 Favored Glycine 0 C--N 1.333 0.378 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.116 179.627 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 22.7 mm -74.28 -38.74 48.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.724 0.297 . . . . 0.0 111.237 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.755 HG13 ' CD1' ' A' ' 119' ' ' ILE . 75.8 t -61.81 -35.44 67.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.096 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -71.73 -26.06 73.69 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.473 -0.87 . . . . 0.0 112.514 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 7.9 mtp -80.59 -30.72 36.87 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.363 0.125 . . . . 0.0 110.92 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 47.5 m -86.88 -37.42 17.7 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.772 0.656 . . . . 0.0 112.772 -177.451 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . 0.437 ' O ' ' HB2' ' A' ' 113' ' ' LYS . 3.6 m-20 -63.45 -71.7 0.16 Allowed 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.286 -0.566 . . . . 0.0 110.052 -179.406 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.437 ' HB2' ' O ' ' A' ' 112' ' ' ASP . 0.3 OUTLIER 81.38 2.21 1.56 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.116 -178.438 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . 0.523 ' O ' ' HB3' ' A' ' 115' ' ' ALA . 14.2 p30 -107.94 -21.17 12.93 Favored 'General case' 0 C--O 1.231 0.111 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 178.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.523 ' HB3' ' O ' ' A' ' 114' ' ' ASN . . . 75.44 45.77 0.13 Allowed 'General case' 0 C--O 1.231 0.124 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.975 179.389 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 16.5 p30 -106.39 -16.37 14.57 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.012 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 81.32 8.07 87.6 Favored Glycine 0 CA--C 1.52 0.353 0 C-N-CA 120.699 -0.762 . . . . 0.0 113.409 179.431 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -123.2 163.85 19.84 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 117.261 0.531 . . . . 0.0 111.813 -179.483 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.755 ' CD1' HG13 ' A' ' 108' ' ' VAL . 42.1 mm -111.7 99.73 9.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.411 -179.041 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . 0.422 ' O ' ' N ' ' A' ' 123' ' ' GLU . 1.1 m-80 -85.69 157.8 20.22 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 110.143 -0.317 . . . . 0.0 110.143 179.439 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.491 ' HA ' ' CD2' ' A' ' 142' ' ' PHE . . . -47.74 -38.72 16.03 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 111.64 0.237 . . . . 0.0 111.64 -178.689 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -70.26 -28.22 65.06 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 179.073 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 120' ' ' ASN . 57.1 mt-10 -82.92 -47.52 11.7 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.818 178.777 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . 0.441 ' CE2' HD11 ' A' ' 128' ' ' LEU . 2.8 t80 -55.81 -51.58 66.96 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.839 0.352 . . . . 0.0 110.856 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.512 ' O ' HG23 ' A' ' 129' ' ' THR . . . -53.75 -42.48 68.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.747 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -53.84 -33.84 57.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.195 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' TRP . . . . . 0.587 ' O ' ' HB3' ' A' ' 130' ' ' ALA . 23.3 t90 -82.7 -49.52 9.69 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 111.696 0.258 . . . . 0.0 111.696 -179.087 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.441 HD11 ' CE2' ' A' ' 124' ' ' PHE . 0.2 OUTLIER -54.12 -45.9 72.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.883 0.373 . . . . 0.0 110.488 -179.529 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . 0.512 HG23 ' O ' ' A' ' 125' ' ' ALA . 25.2 p -70.85 -21.02 62.48 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.031 178.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . 0.587 ' HB3' ' O ' ' A' ' 127' ' ' TRP . . . -65.3 -37.49 87.31 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.046 179.491 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 3.2 mt -86.97 -2.08 58.35 Favored 'General case' 0 CA--C 1.529 0.16 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 -178.724 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 109.9 29.63 3.75 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.259 -0.972 . . . . 0.0 113.251 179.317 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' MET . . . . . 0.408 ' HG2' ' O ' ' A' ' 128' ' ' LEU . 38.5 mmm -101.93 153.06 20.21 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 179.219 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 56.6 m -83.23 159.79 21.9 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.718 0.295 . . . . 0.0 110.751 179.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 2.2 ttpm? -62.17 -16.77 55.2 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.809 -179.442 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -82.77 -27.51 30.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.048 179.661 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -73.97 -41.91 61.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.344 -179.773 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . 0.496 ' HB1' ' HA ' ' A' ' 125' ' ' ALA . . . -59.26 -57.85 11.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.859 0.361 . . . . 0.0 110.836 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -49.55 -44.04 46.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.096 179.708 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -70.81 -48.28 54.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.733 -179.451 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . 0.813 ' O ' HG23 ' A' ' 145' ' ' VAL . . . -62.3 -34.28 76.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.064 0.459 . . . . 0.0 111.367 -179.207 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' PHE . . . . . 0.733 ' CD2' HD11 ' A' ' 153' ' ' LEU . 31.9 t80 -56.95 -59.05 5.63 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.867 179.555 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 12.1 t30 -56.45 -36.27 68.85 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 115.76 -0.654 . . . . 0.0 112.504 -179.055 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -68.49 -27.42 66.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.93 0.395 . . . . 0.0 111.097 -179.395 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 0.813 HG23 ' O ' ' A' ' 141' ' ' ALA . 44.5 t -84.66 -36.58 11.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.033 -0.53 . . . . 0.0 112.428 -178.699 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.51 78.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.125 0.488 . . . . 0.0 111.667 -179.084 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . 0.431 ' N ' ' O ' ' A' ' 145' ' ' VAL . 24.0 m -56.34 -35.8 68.04 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 115.6 -0.727 . . . . 0.0 112.497 179.723 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 54.6 p30 -96.45 7.59 46.13 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -178.319 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 42.27 35.27 1.77 Allowed Glycine 0 C--N 1.332 0.358 0 C-N-CA 120.968 -0.634 . . . . 0.0 113.273 179.596 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 31.1 p-10 -91.78 -6.57 51.58 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-O 120.535 0.207 . . . . 0.0 111.414 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 88.2 5.59 76.11 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.497 -0.858 . . . . 0.0 113.374 179.17 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -133.05 134.73 44.75 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 117.269 0.534 . . . . 0.0 110.891 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.733 HD11 ' CD2' ' A' ' 142' ' ' PHE . 47.6 mt -97.37 99.54 10.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.113 179.394 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.1 163.36 17.03 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.082 0.468 . . . . 0.0 111.723 -178.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -47.98 -44.3 30.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.496 -179.678 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 33.5 t0 -56.38 -59.63 4.69 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.895 0.378 . . . . 0.0 111.039 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 77.4 mt-10 -65.02 -15.42 62.3 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.975 -0.557 . . . . 0.0 112.343 -179.028 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . 0.755 HD11 HG13 ' A' ' 119' ' ' ILE . 5.0 mt -70.63 -56.03 7.42 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.078 0.465 . . . . 0.0 110.557 179.526 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.514 ' N ' HD23 ' A' ' 159' ' ' LEU . 0.3 OUTLIER -57.88 -40.01 79.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.958 -179.707 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 3.0 p -52.97 -62.37 1.7 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.87 0.367 . . . . 0.0 110.205 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 161' ' ' ALA . . . . . 0.496 ' HB2' HG13 ' A' ' 145' ' ' VAL . . . -63.58 -56.16 18.11 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.378 179.006 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 162' ' ' VAL . . . . . 0.721 HG23 ' O ' ' A' ' 158' ' ' LEU . 61.7 t -52.63 135.33 14.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.334 179.772 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 163' ' ' ARG . . . . . 0.544 ' HD3' HD12 ' A' ' 174' ' ' LEU . 8.4 tpt180 56.93 73.36 0.46 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.088 179.765 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -146.74 102.4 3.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.828 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 165' ' ' PHE . . . . . 0.424 ' HA ' ' CG ' ' A' ' 169' ' ' ARG . 28.4 p90 -178.53 143.98 0.28 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.256 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . 0.556 ' O ' ' HB2' ' A' ' 5' ' ' ALA . 0.7 OUTLIER 179.32 -70.24 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.996 179.797 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 167' ' ' PHE . . . . . . . . . . . . . 43.1 m-85 -76.92 -78.65 0.12 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.661 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -146.32 40.82 1.03 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.258 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 169' ' ' ARG . . . . . 0.424 ' CG ' ' HA ' ' A' ' 165' ' ' PHE . 0.0 OUTLIER -48.22 164.92 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.004 0.43 . . . . 0.0 111.249 -179.793 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 170' ' ' LEU . . . . . 0.892 ' HG ' HG23 ' A' ' 172' ' ' VAL . 0.5 OUTLIER -87.42 -158.11 0.43 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.071 -179.789 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -76.43 58.66 1.35 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.856 0.36 . . . . 0.0 111.189 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 172' ' ' VAL . . . . . 0.892 HG23 ' HG ' ' A' ' 170' ' ' LEU . 82.1 t -107.34 -91.11 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.199 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 173' ' ' GLU . . . . . 0.452 ' N ' HG12 ' A' ' 172' ' ' VAL . 0.2 OUTLIER 63.06 -176.88 0.15 Allowed 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.64 0.257 . . . . 0.0 110.849 -179.839 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 174' ' ' LEU . . . . . 0.544 HD12 ' HD3' ' A' ' 163' ' ' ARG . 0.5 OUTLIER -105.4 -52.04 2.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.356 -179.668 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 175' ' ' LEU . . . . . . . . . . . . . 5.0 mp -117.98 -178.77 3.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.844 0.354 . . . . 0.0 111.199 -179.709 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.33 -1.261 . . . . 0.0 112.363 179.998 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 500' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 501' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 502' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 3.9 p . . . . . 0 N--CA 1.489 1.496 0 CA-C-O 120.566 0.222 . . . . 0.0 111.128 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.6 p -55.63 -177.32 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.581 -0.281 . . . . 0.0 111.024 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -179.4 -80.56 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 121.057 0.456 . . . . 0.0 112.07 -179.519 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 23.0 mt -81.51 -30.06 10.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.712 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.636 ' O ' HD12 ' A' ' 9' ' ' LEU . . . -60.63 -35.34 75.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.541 -179.219 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 m -60.46 -49.37 77.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.082 0.467 . . . . 0.0 110.867 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.04 -50.79 68.2 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.798 -179.46 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -61.7 -50.09 73.83 Favored 'General case' 0 N--CA 1.463 0.216 0 N-CA-C 111.806 0.299 . . . . 0.0 111.806 -179.038 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.887 HD13 HG23 ' A' ' 81' ' ' ILE . 2.8 mt -73.14 -29.17 62.69 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.34 -179.013 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.96 -47.74 84.54 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.925 -179.48 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 35.3 mttt -65.3 -46.15 81.53 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.02 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.451 ' CZ ' ' CE2' ' A' ' 165' ' ' PHE . 1.7 mpt_? -47.42 -28.2 2.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.925 179.735 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.485 ' CD1' ' HA ' ' A' ' 77' ' ' GLU . 80.5 t80 -74.88 -62.86 1.4 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.239 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -70.06 -23.76 63.13 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 120.689 0.281 . . . . 0.0 111.19 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 45.5 ttt85 -72.23 -13.93 61.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.55 -179.464 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.422 ' HA ' ' CE3' ' A' ' 16' ' ' TRP . 2.2 m95 -113.34 20.49 16.1 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 111.992 0.368 . . . . 0.0 111.992 -179.564 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.8 81.86 6.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.181 0.515 . . . . 0.0 110.557 179.774 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.479 ' CZ ' ' HB3' ' A' ' 31' ' ' LYS . 0.2 OUTLIER -54.51 -51.89 63.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.033 -179.547 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -97.94 -14.05 20.84 Favored 'General case' 0 CA--C 1.53 0.199 0 N-CA-C 111.752 0.278 . . . . 0.0 111.752 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 74.99 46.32 17.06 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.563 -0.827 . . . . 0.0 112.967 179.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.4 p-10 -96.23 -8.03 34.05 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 117.035 0.418 . . . . 0.0 111.521 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 83.12 18.81 64.07 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.343 -0.932 . . . . 0.0 111.908 -179.362 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.743 ' HB1' ' HB2' ' A' ' 74' ' ' SER . . . -152.7 173.84 14.75 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.854 0.359 . . . . 0.0 110.748 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.3 mt -115.82 120.66 40.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.849 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -119.64 172.4 7.7 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.981 0.42 . . . . 0.0 111.096 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.68 -36.79 78.98 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.211 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.56 -21.92 65.94 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.037 179.463 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.432 ' OD1' ' HB2' ' A' ' 18' ' ' PHE . 13.1 m-20 -72.77 -33.16 66.13 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.121 179.448 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -75.36 -39.97 58.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.816 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 67.6 mt-10 -63.58 -37.72 88.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.191 179.541 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.479 ' HB3' ' CZ ' ' A' ' 18' ' ' PHE . 2.6 mttt -65.31 -44.59 87.39 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.798 0.332 . . . . 0.0 110.897 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.42 ' HG2' HD11 ' A' ' 36' ' ' ILE . 9.8 tt0 -46.72 -63.47 1.01 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.621 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.546 ' HA ' HD12 ' A' ' 36' ' ' ILE . . . -46.71 -45.45 19.53 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.891 0.376 . . . . 0.0 110.993 179.498 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -63.37 -57.54 10.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.863 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 24.2 t60 -52.7 -29.68 28.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.861 0.362 . . . . 0.0 110.396 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.546 HD12 ' HA ' ' A' ' 33' ' ' ALA . 19.8 mt -75.56 -50.99 22.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.34 179.717 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -43.21 -48.31 6.52 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.469 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.5 -35.99 75.19 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 179.077 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.454 ' HB3' ' O ' ' A' ' 36' ' ' ILE . . . -61.89 -30.37 70.83 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 178.7 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -93.43 -0.11 56.6 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.632 179.232 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.4 ' O ' ' HB3' ' A' ' 42' ' ' LYS . . . 71.99 -151.64 47.62 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 121.21 -0.519 . . . . 0.0 113.212 179.821 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.4 ' HB3' ' O ' ' A' ' 41' ' ' GLY . 7.7 tptt 68.22 -99.2 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 122.607 0.363 . . . . 0.0 110.876 -179.795 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -171.56 134.02 0.82 Allowed 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 121.031 0.443 . . . . 0.0 111.497 179.76 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.89 -8.86 32.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.923 -0.58 . . . . 0.0 112.25 -179.678 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -104.99 15.26 48.16 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.163 -1.018 . . . . 0.0 113.535 -179.107 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.443 ' HB3' HG23 ' A' ' 49' ' ' VAL . . . -72.29 166.3 22.73 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.861 0.362 . . . . 0.0 111.113 179.193 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.18 -47.98 75.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.18 0.514 . . . . 0.0 110.617 179.385 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 90.6 mt-10 -56.31 -31.42 63.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.598 -0.728 . . . . 0.0 112.753 -178.66 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.443 HG23 ' HB3' ' A' ' 46' ' ' ALA . 4.7 t -76.66 -38.88 31.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 C-N-CA 120.604 -0.439 . . . . 0.0 110.984 -179.46 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -59.72 -40.71 88.93 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 179.064 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 82.8 m -55.7 -59.26 5.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.93 179.107 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 17.4 tp -48.94 -58.54 4.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.884 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 27.2 mtpt -50.39 -42.37 53.48 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.483 0.182 . . . . 0.0 111.414 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -58.7 -41.53 86.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.835 0.35 . . . . 0.0 110.236 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.02 -49.05 63.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.876 179.288 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -52.41 -31.06 32.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.658 179.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -65.83 -51.16 48.58 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.361 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -59.85 -30.74 70.18 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.51 -0.853 . . . . 0.0 111.85 179.62 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.429 ' O ' HD12 ' A' ' 59' ' ' LEU . 12.6 tp -55.64 -32.98 63.64 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.93 0.395 . . . . 0.0 110.452 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -63.39 -39.48 94.63 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.223 179.143 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -43.6 -52.82 6.08 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.695 179.724 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.464 ' HB2' HG21 ' A' ' 99' ' ' VAL . 5.4 t80 -56.06 -39.88 72.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.258 -179.703 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 10.8 mt -65.96 -56.53 11.2 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.248 -179.381 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -56.32 -45.9 80.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.576 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.32 -55.98 15.23 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.923 0.392 . . . . 0.0 111.331 -179.714 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -61.14 -40.18 92.85 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.503 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -77.52 -25.29 50.15 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.992 0.425 . . . . 0.0 111.097 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 75.26 35.78 47.33 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.987 -0.625 . . . . 0.0 113.564 178.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 48.1 t -106.98 -80.29 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.516 0.198 . . . . 0.0 111.066 -179.716 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 166.51 157.96 10.74 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.578 -0.82 . . . . 0.0 112.548 -179.571 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.1 m -60.86 -23.48 65.17 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 122.434 0.294 . . . . 0.0 111.436 179.372 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -113.06 14.24 19.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.357 179.762 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -94.53 -165.21 36.05 Favored Glycine 0 C--N 1.332 0.331 0 C-N-CA 120.4 -0.905 . . . . 0.0 112.395 179.652 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.743 ' HB2' ' HB1' ' A' ' 23' ' ' ALA . 20.5 p -143.3 155.95 44.6 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.024 0.44 . . . . 0.0 111.934 -179.329 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.8 mp -116.62 136.14 53.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.238 179.111 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 16.6 p -85.17 -177.57 6.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.74 0.305 . . . . 0.0 110.793 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.485 ' HA ' ' CD1' ' A' ' 13' ' ' PHE . 2.4 tt0 -71.36 -47.95 53.19 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.758 -179.609 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.0 -33.07 70.29 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.476 179.691 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -73.46 -42.48 61.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.949 0.404 . . . . 0.0 110.273 179.13 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.406 ' CD1' ' OG1' ' A' ' 84' ' ' THR . 48.5 t80 -53.69 -54.77 33.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.568 179.127 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.887 HG23 HD13 ' A' ' 9' ' ' LEU . 9.9 mt -53.86 -51.46 44.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.622 -0.717 . . . . 0.0 112.437 -179.095 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.16 -50.09 75.38 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 111.774 0.287 . . . . 0.0 111.774 -179.233 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 74.7 t -73.13 -37.82 53.64 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.214 0 CA-C-O 120.707 0.289 . . . . 0.0 111.569 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.665 ' O ' HD12 ' A' ' 88' ' ' ILE . 51.8 m -61.15 -46.37 90.82 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.905 0.383 . . . . 0.0 110.37 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -50.24 -49.01 54.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.342 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -59.19 -36.85 76.08 Favored 'General case' 0 C--O 1.231 0.109 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.16 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.2 mt -60.44 -48.98 79.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.089 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.665 HD12 ' O ' ' A' ' 84' ' ' THR . 2.6 mp -70.8 -44.49 76.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.183 -179.556 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -88.5 -84.73 0.2 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.908 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -57.23 -162.18 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.619 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 72.01 145.45 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.838 0.351 . . . . 0.0 110.146 -179.652 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -82.35 159.6 39.12 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.641 -0.79 . . . . 0.0 113.075 -179.378 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.05 -52.95 61.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.017 0.436 . . . . 0.0 110.328 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.28 -11.47 32.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.771 -0.65 . . . . 0.0 112.507 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.11 -45.72 39.26 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.121 0.486 . . . . 0.0 110.333 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -69.03 -42.32 76.51 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.544 179.508 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -67.07 -37.48 84.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.663 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 7.3 mtp180 -63.91 -51.39 64.69 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.839 -179.31 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.464 HG21 ' HB2' ' A' ' 62' ' ' TYR . 3.7 p -79.6 -40.98 21.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 -177.116 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.492 HD23 ' HB2' ' A' ' 159' ' ' LEU . 13.7 tp -87.68 -25.08 23.67 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.786 -0.643 . . . . 0.0 112.125 -177.482 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.4 ' N ' ' HD2' ' A' ' 102' ' ' PRO . . . -44.89 -62.73 2.84 Favored Glycine 0 CA--C 1.521 0.426 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.998 179.559 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.4 ' HD2' ' N ' ' A' ' 101' ' ' GLY . 18.6 Cg_endo -60.67 -17.66 50.7 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.655 2.237 . . . . 0.0 112.316 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 20.0 t -79.17 -52.08 15.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.672 -179.061 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.449 ' O ' HG23 ' A' ' 108' ' ' VAL . 59.1 t -66.27 -30.9 51.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.244 0.545 . . . . 0.0 110.745 179.253 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.47 ' HG2' ' CD2' ' A' ' 155' ' ' LEU . 0.0 OUTLIER -55.81 -55.24 34.8 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.668 179.65 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -46.32 -38.89 9.3 Favored Glycine 0 C--N 1.331 0.262 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.492 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.606 HD13 ' CZ2' ' A' ' 127' ' ' TRP . 20.2 mt -71.87 -38.98 66.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 121.037 0.446 . . . . 0.0 110.878 -179.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.83 ' HA ' HD11 ' A' ' 119' ' ' ILE . 85.3 t -61.69 -37.68 78.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.905 179.756 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -69.41 -27.93 73.04 Favored Glycine 0 CA--C 1.52 0.375 0 C-N-CA 120.435 -0.888 . . . . 0.0 112.777 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -80.74 -31.77 35.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.546 0.173 . . . . 0.0 111.052 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 63.6 m -90.74 -21.49 21.55 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 113.058 0.762 . . . . 0.0 113.058 -177.617 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . 0.488 ' O ' ' HB2' ' A' ' 113' ' ' LYS . 24.6 m-20 -68.24 -74.03 0.13 Allowed 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 119.943 -0.703 . . . . 0.0 110.686 -178.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.488 ' HB2' ' O ' ' A' ' 112' ' ' ASP . 3.5 mttm 83.53 -4.18 1.18 Allowed 'General case' 0 C--O 1.232 0.135 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.799 -177.625 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . 0.49 ' O ' ' HB3' ' A' ' 115' ' ' ALA . 0.2 OUTLIER -108.88 -15.64 14.33 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 178.069 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.49 ' HB3' ' O ' ' A' ' 114' ' ' ASN . . . 71.56 49.23 0.3 Allowed 'General case' 0 C--O 1.231 0.085 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.755 179.41 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 14.1 p-10 -110.11 -15.54 14.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.364 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 78.39 11.48 85.27 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.906 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -123.0 164.19 19.01 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-O 121.092 0.472 . . . . 0.0 111.596 -179.243 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.83 HD11 ' HA ' ' A' ' 108' ' ' VAL . 40.3 mm -111.25 99.54 8.89 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.315 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.582 -178.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -85.05 158.01 20.57 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 122.326 -0.233 . . . . 0.0 110.424 179.672 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.456 ' HA ' ' CE2' ' A' ' 142' ' ' PHE . . . -48.63 -39.19 23.21 Favored 'General case' 0 C--N 1.334 -0.092 0 CA-C-N 116.66 -0.245 . . . . 0.0 111.515 -178.68 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.3 -28.72 64.32 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 179.055 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -79.4 -48.03 14.7 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 178.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . 0.469 ' CE2' HD11 ' A' ' 128' ' ' LEU . 2.1 t80 -57.16 -53.4 58.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.925 179.628 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -50.2 -45.0 53.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.049 -179.684 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -54.77 -32.08 59.55 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.82 -179.573 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' TRP . . . . . 0.673 ' CH2' HD13 ' A' ' 174' ' ' LEU . 13.6 t90 -83.39 -42.26 17.22 Favored 'General case' 0 N--CA 1.463 0.207 0 N-CA-C 111.763 0.282 . . . . 0.0 111.763 -178.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.469 HD11 ' CE2' ' A' ' 124' ' ' PHE . 0.3 OUTLIER -59.34 -45.02 92.54 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.96 0.41 . . . . 0.0 110.696 -179.889 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . 0.494 HG23 ' O ' ' A' ' 133' ' ' MET . 0.3 OUTLIER -71.93 -21.36 61.63 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.146 179.134 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . 0.465 ' HB3' ' O ' ' A' ' 127' ' ' TRP . . . -65.32 -37.98 88.76 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.936 179.472 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.453 HD22 ' H ' ' A' ' 176' ' ' GLY . 0.4 OUTLIER -89.32 -0.16 57.26 Favored 'General case' 0 C--N 1.332 -0.156 0 N-CA-C 112.639 0.607 . . . . 0.0 112.639 -178.499 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 109.0 29.56 4.01 Favored Glycine 0 CA--C 1.519 0.291 0 C-N-CA 119.954 -1.117 . . . . 0.0 113.976 179.013 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' MET . . . . . 0.494 ' O ' HG23 ' A' ' 129' ' ' THR . 28.0 mmt -103.67 153.11 21.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 117.139 0.469 . . . . 0.0 110.153 178.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 6.8 p -81.02 163.69 23.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.585 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.82 -21.92 65.19 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.855 -0.338 . . . . 0.0 111.096 -179.545 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -79.81 -26.41 40.52 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.003 179.277 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.39 -38.78 68.38 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.693 -179.34 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -62.38 -59.71 4.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.0 0.429 . . . . 0.0 110.984 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -44.72 -43.64 8.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.338 179.728 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -69.84 -48.32 59.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.403 -179.429 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . 0.704 ' O ' HG23 ' A' ' 145' ' ' VAL . . . -63.04 -40.0 96.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.73 -179.238 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' PHE . . . . . 0.456 ' CE2' ' HA ' ' A' ' 121' ' ' ALA . 24.2 t80 -52.32 -59.62 4.19 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.229 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -56.27 -34.57 66.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.877 -179.619 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 2.1 mm100 -66.09 -35.52 80.73 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.895 -179.288 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 0.704 HG23 ' O ' ' A' ' 141' ' ' ALA . 12.4 t -83.55 -33.45 9.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 112.671 0.619 . . . . 0.0 112.671 -177.692 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.41 78.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.094 0.473 . . . . 0.0 110.914 -179.406 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . 0.475 ' N ' ' O ' ' A' ' 145' ' ' VAL . 0.2 OUTLIER -56.38 -32.86 65.17 Favored 'General case' 0 CA--C 1.521 -0.172 0 CA-C-N 115.721 -0.672 . . . . 0.0 112.405 -179.82 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 14.8 p30 -98.66 8.57 44.77 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 111.904 0.335 . . . . 0.0 111.904 -178.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 41.45 37.89 1.9 Allowed Glycine 0 C--N 1.335 0.487 0 C-N-CA 121.107 -0.568 . . . . 0.0 113.123 179.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 33.5 p-10 -94.65 -5.89 44.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.583 0.23 . . . . 0.0 111.552 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 85.51 9.08 79.6 Favored Glycine 0 C--N 1.335 0.518 0 C-N-CA 120.674 -0.774 . . . . 0.0 113.778 178.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -134.71 135.68 42.16 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 117.373 0.587 . . . . 0.0 111.153 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.7 HD21 ' HB ' ' A' ' 145' ' ' VAL . 31.4 mt -94.88 103.42 15.29 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.06 179.072 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 37.7 p -90.04 160.09 16.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.726 0.298 . . . . 0.0 111.125 -179.592 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 155' ' ' LEU . . . . . 0.47 ' CD2' ' HG2' ' A' ' 105' ' ' LYS . 0.4 OUTLIER -46.6 -44.02 17.84 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-O 121.048 0.451 . . . . 0.0 110.557 -179.922 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.79 -52.29 65.64 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.507 179.651 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -65.77 -26.33 67.66 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.228 -0.896 . . . . 0.0 112.501 -178.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . 0.78 HD11 HG13 ' A' ' 119' ' ' ILE . 43.2 mt -73.17 -69.99 0.39 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.187 179.626 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.553 HD12 ' N ' ' A' ' 160' ' ' THR . 3.9 pp -42.2 -45.98 4.27 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.843 -178.75 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 160' ' ' THR . . . . . 0.553 ' N ' HD12 ' A' ' 159' ' ' LEU . 4.1 m -54.31 -45.91 72.7 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.114 0.483 . . . . 0.0 110.011 179.418 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 161' ' ' ALA . . . . . 0.453 ' HB2' HG13 ' A' ' 145' ' ' VAL . . . -63.48 -29.37 70.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.659 179.795 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 162' ' ' VAL . . . . . 0.462 ' CG2' HD21 ' A' ' 174' ' ' LEU . 85.2 t -50.86 -61.9 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.259 -179.606 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 6.1 tpp180 -110.61 73.88 0.85 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.764 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -153.03 76.86 1.14 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.835 0.35 . . . . 0.0 111.709 -179.733 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 165' ' ' PHE . . . . . 0.464 ' CD1' ' N ' ' A' ' 165' ' ' PHE . 0.1 OUTLIER -103.05 -7.25 21.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.46 178.916 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER 55.67 -159.82 0.2 Allowed 'General case' 0 C--N 1.338 0.095 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.733 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 167' ' ' PHE . . . . . 0.51 ' CD1' ' N ' ' A' ' 167' ' ' PHE . 0.7 OUTLIER -76.72 -4.07 41.41 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.694 -0.23 . . . . 0.0 111.232 -179.875 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 168' ' ' GLY . . . . . 0.404 ' C ' ' CG ' ' A' ' 169' ' ' ARG . . . -129.38 -102.61 1.04 Allowed Glycine 0 C--N 1.333 0.385 0 C-N-CA 120.784 -0.722 . . . . 0.0 111.882 179.443 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 169' ' ' ARG . . . . . 0.404 ' CG ' ' C ' ' A' ' 168' ' ' GLY . 0.0 OUTLIER 165.01 138.92 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 120.782 0.325 . . . . 0.0 111.102 179.633 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -109.61 -31.4 7.5 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.984 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . 0.457 ' O ' ' HB ' ' A' ' 172' ' ' VAL . 12.9 t70 -162.46 -84.73 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.639 -0.255 . . . . 0.0 110.733 179.784 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 172' ' ' VAL . . . . . 0.479 ' O ' HG13 ' A' ' 172' ' ' VAL . 3.3 p 165.0 80.52 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.232 0.139 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.63 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 49.62 -161.92 0.05 OUTLIER 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 120.795 0.331 . . . . 0.0 110.834 179.28 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 174' ' ' LEU . . . . . 0.673 HD13 ' CH2' ' A' ' 127' ' ' TRP . 0.4 OUTLIER -102.93 24.9 10.02 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.531 179.2 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 175' ' ' LEU . . . . . 0.607 HD23 HD12 ' A' ' 174' ' ' LEU . 0.8 OUTLIER -152.74 -165.9 2.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.775 -179.894 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 176' ' ' GLY . . . . . 0.453 ' H ' HD22 ' A' ' 131' ' ' LEU . . . . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.386 -1.23 . . . . 0.0 112.511 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 500' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 501' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 502' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 47.4 p . . . . . 0 N--CA 1.484 1.273 0 CA-C-O 120.867 0.365 . . . . 0.0 111.178 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 5.7 t -60.98 170.91 1.37 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.749 179.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -171.35 -78.87 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.931 179.675 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 38.3 mt -76.91 -27.12 16.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 121.157 0.503 . . . . 0.0 110.61 179.491 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.23 -47.93 82.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.831 -0.622 . . . . 0.0 112.117 -179.678 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.55 -52.65 64.27 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.916 0.389 . . . . 0.0 111.365 -179.377 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -48.69 -54.64 14.01 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.801 -0.636 . . . . 0.0 112.38 -179.12 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 4.0 mmt-85 -61.39 -45.49 94.14 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.227 0.454 . . . . 0.0 112.227 -178.216 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 18.5 mt -76.5 -28.8 56.57 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 111.97 0.359 . . . . 0.0 111.97 -179.227 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.95 -66.22 0.55 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.444 -179.181 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 8.6 mmtm -47.19 -45.3 22.96 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.835 0.35 . . . . 0.0 111.008 -179.505 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 71.9 mmt-85 -49.5 -29.43 6.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.621 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -73.3 -57.14 4.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.669 0.271 . . . . 0.0 111.474 -179.39 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -70.26 -21.36 62.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.218 -179.571 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 19.6 ttt180 -75.05 -15.28 60.64 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.727 0.298 . . . . 0.0 111.26 179.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.465 ' CZ2' ' O ' ' A' ' 176' ' ' GLY . 5.9 m95 -102.36 14.19 32.6 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.775 -179.515 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -80.68 75.14 7.59 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.043 0.449 . . . . 0.0 111.161 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -53.76 -49.13 68.89 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.469 -179.408 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 27.8 p-10 -97.31 -13.3 22.01 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 111.769 0.285 . . . . 0.0 111.769 -179.355 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.16 43.54 20.85 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.377 -0.916 . . . . 0.0 111.592 -179.162 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 20.1 p-10 -93.19 -11.56 32.42 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 111.618 0.229 . . . . 0.0 111.618 -179.359 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 82.32 21.15 61.02 Favored Glycine 0 C--N 1.331 0.262 0 C-N-CA 120.568 -0.825 . . . . 0.0 112.653 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -155.4 176.58 12.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.692 0.282 . . . . 0.0 110.481 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.9 mt -115.85 123.59 48.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.973 0.416 . . . . 0.0 111.042 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -120.45 172.03 8.12 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.43 179.618 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 9.6 ttt-85 -71.05 -31.36 67.77 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.731 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.52 -20.47 65.65 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.573 -0.739 . . . . 0.0 111.512 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.39 -32.88 72.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.859 0.362 . . . . 0.0 110.543 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.417 ' HB3' ' HB3' ' A' ' 56' ' ' PHE . 99.6 m-85 -76.84 -37.43 55.65 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.422 -179.533 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -64.41 -41.07 96.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.68 -179.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.6 mttm -67.09 -43.7 81.87 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.03 0.443 . . . . 0.0 110.382 179.714 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.436 ' O ' HG12 ' A' ' 36' ' ' ILE . 22.8 tt0 -49.94 -63.11 1.21 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.386 179.662 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.434 ' HB3' ' HG3' ' A' ' 53' ' ' LYS . . . -46.05 -47.53 16.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.393 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -62.3 -51.77 66.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.304 -0.407 . . . . 0.0 109.956 179.615 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -56.28 -24.41 42.79 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.206 179.112 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.436 HG12 ' O ' ' A' ' 32' ' ' GLU . 7.0 mm -79.69 -51.7 16.01 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.091 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.808 179.457 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -45.69 -47.47 15.15 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.37 -179.679 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -60.06 -34.62 73.67 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.927 -0.309 . . . . 0.0 110.319 179.164 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.425 ' HB3' ' O ' ' A' ' 36' ' ' ILE . . . -60.23 -33.67 72.6 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 178.557 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.414 ' O ' ' HD3' ' A' ' 42' ' ' LYS . 1.1 m-85 -92.78 1.18 57.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.901 179.129 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 72.58 -147.64 40.69 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.938 -0.649 . . . . 0.0 112.434 -179.498 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.414 ' HD3' ' O ' ' A' ' 40' ' ' PHE . 0.0 OUTLIER 68.07 -103.19 0.06 Allowed 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 179.44 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -168.99 131.79 1.3 Allowed 'General case' 0 N--CA 1.457 -0.099 0 C-N-CA 120.48 -0.488 . . . . 0.0 112.146 -178.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.618 ' O ' HG11 ' A' ' 49' ' ' VAL . . . -68.21 -11.54 59.45 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.557 179.644 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -99.32 17.39 57.92 Favored Glycine 0 C--N 1.333 0.397 0 C-N-CA 120.575 -0.821 . . . . 0.0 112.937 -179.466 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.65 -166.05 0.13 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.026 0.441 . . . . 0.0 111.296 179.549 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -94.6 -45.3 7.45 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.142 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -63.89 -21.81 66.63 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.486 -179.62 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.618 HG11 ' O ' ' A' ' 44' ' ' ALA . 8.7 p -76.23 -48.1 28.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 179.502 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.492 ' N ' HG13 ' A' ' 49' ' ' VAL . 12.7 tt0 -61.0 -41.07 95.82 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 178.551 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 25.4 m -59.55 -55.06 39.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.448 179.412 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.423 HD11 ' CE2' ' A' ' 56' ' ' PHE . 37.1 tp -52.28 -58.24 7.25 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.836 -0.345 . . . . 0.0 110.27 -179.743 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.434 ' HG3' ' HB3' ' A' ' 33' ' ' ALA . 7.5 mtpt -51.35 -39.34 56.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.46 -0.337 . . . . 0.0 110.813 179.531 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -59.04 -41.08 86.99 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 179.595 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.97 -46.23 68.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.452 179.064 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.423 ' CE2' HD11 ' A' ' 52' ' ' LEU . 2.6 m-85 -53.69 -33.28 54.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.823 179.564 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -63.0 -50.17 65.83 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.634 -0.793 . . . . 0.0 112.454 -179.692 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.422 ' O ' ' HB2' ' A' ' 61' ' ' ASP . . . -59.09 -29.92 66.18 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.539 -0.838 . . . . 0.0 112.688 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.58 -35.49 68.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 122.497 -0.414 . . . . 0.0 110.756 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.883 ' HA ' HD12 ' A' ' 63' ' ' LEU . 33.2 t80 -63.97 -42.94 97.11 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.729 179.514 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.422 ' HB2' ' O ' ' A' ' 58' ' ' GLY . 16.4 m-20 -42.25 -55.21 3.4 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.741 -179.766 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 18.3 t80 -55.64 -36.09 66.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.812 -179.659 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.883 HD12 ' HA ' ' A' ' 60' ' ' PHE . 18.0 mt -66.44 -55.79 14.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.807 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.676 ' HB1' ' O ' ' A' ' 69' ' ' VAL . . . -55.37 -50.36 69.9 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.839 179.472 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 9.8 ttpt -62.11 -51.51 67.62 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.911 0.386 . . . . 0.0 111.098 -179.412 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 23.5 tp10 -61.7 -41.11 97.16 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.825 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -76.12 -27.08 56.94 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.34 -179.507 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 100.59 11.23 41.75 Favored Glycine 0 CA--C 1.519 0.281 0 C-N-CA 120.888 -0.672 . . . . 0.0 113.498 179.161 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.676 ' O ' ' HB1' ' A' ' 64' ' ' ALA . 15.9 m -110.72 172.31 2.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.553 0.176 . . . . 0.0 110.554 179.451 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -84.59 176.18 51.04 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.886 -0.673 . . . . 0.0 113.982 -178.688 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.3 m -63.85 -15.13 58.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.396 -0.402 . . . . 0.0 111.005 178.348 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -109.57 15.15 23.11 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.34 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -95.35 -165.01 34.89 Favored Glycine 0 CA--C 1.52 0.378 0 C-N-CA 120.43 -0.891 . . . . 0.0 113.07 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.5 m -143.81 155.93 44.31 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.897 0.379 . . . . 0.0 111.598 -179.25 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.3 mp -119.34 141.66 48.83 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.64 179.376 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 33.2 p -85.98 -172.11 3.92 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 120.9 0.381 . . . . 0.0 111.609 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -77.89 -49.61 13.88 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.991 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -57.07 -32.19 66.0 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.379 179.603 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -72.06 -42.8 65.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.929 0.395 . . . . 0.0 110.114 179.223 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.404 ' CD1' ' OG1' ' A' ' 84' ' ' THR . 32.8 t80 -52.1 -56.47 14.22 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.736 179.252 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 10.9 mt -53.6 -50.49 49.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.763 -179.641 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 2.1 tpt180 -58.27 -55.22 37.84 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 111.645 0.239 . . . . 0.0 111.645 -179.598 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 21.3 t -70.35 -41.58 78.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -178.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.404 ' OG1' ' CD1' ' A' ' 80' ' ' PHE . 29.0 m -61.29 -42.91 99.45 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.321 -179.754 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -53.87 -47.5 70.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.055 0.455 . . . . 0.0 111.268 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 35.1 m-20 -58.72 -40.03 82.54 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.892 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.81 -39.88 82.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.61 179.736 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 28.7 mm -75.56 -50.82 22.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.364 179.761 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 99.4 m-85 -88.01 -71.8 0.56 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.974 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.23 -161.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.59 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 23.0 mm100 63.05 158.57 0.07 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.805 0.336 . . . . 0.0 110.882 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -89.36 157.42 26.79 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.702 -0.761 . . . . 0.0 113.185 -179.599 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -54.07 -54.24 42.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.983 0.42 . . . . 0.0 110.639 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.25 -10.57 24.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.842 -0.617 . . . . 0.0 112.365 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.38 -41.27 61.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.798 0.332 . . . . 0.0 110.796 -179.698 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.492 ' HE1' HD13 ' A' ' 100' ' ' LEU . 0.1 OUTLIER -68.1 -43.44 78.47 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.391 179.627 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 27.3 t30 -69.48 -34.4 74.29 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.864 179.657 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 5.5 mtt180 -63.17 -58.0 8.68 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.629 -179.485 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 39.2 t -80.68 -35.48 14.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 112.767 0.655 . . . . 0.0 112.767 -178.228 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.492 HD13 ' HE1' ' A' ' 96' ' ' PHE . 0.5 OUTLIER -88.34 -26.39 22.25 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 119.613 -0.835 . . . . 0.0 111.806 -178.087 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -41.0 -57.02 3.05 Favored Glycine 0 CA--C 1.522 0.471 0 C-N-CA 121.152 -0.547 . . . . 0.0 113.195 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_exo -66.35 -11.1 30.04 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.716 2.277 . . . . 0.0 112.265 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.476 ' CG2' ' HA ' ' A' ' 100' ' ' LEU . 20.8 t -79.87 -53.62 12.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.424 -179.405 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.817 ' O ' HG23 ' A' ' 108' ' ' VAL . 98.5 t -68.77 -30.34 46.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.9 0.381 . . . . 0.0 111.105 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -55.25 -53.64 53.47 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.391 179.529 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -48.85 -41.61 28.27 Favored Glycine 0 CA--C 1.519 0.331 0 C-N-CA 120.85 -0.69 . . . . 0.0 112.541 179.53 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.597 HD13 ' CZ2' ' A' ' 127' ' ' TRP . 64.0 mt -71.66 -39.85 69.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.757 0.313 . . . . 0.0 111.046 -179.805 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.817 HG23 ' O ' ' A' ' 104' ' ' VAL . 36.6 t -63.14 -37.21 78.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.734 179.476 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -66.67 -31.91 79.86 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.37 179.719 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 75.6 mtp -79.78 -29.71 40.45 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.589 0.233 . . . . 0.0 110.649 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -86.56 -37.6 18.0 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.974 0.731 . . . . 0.0 112.974 -177.179 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . 0.407 ' O ' ' HB2' ' A' ' 113' ' ' LYS . 65.6 m-20 -64.14 -72.16 0.15 Allowed 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.1 -0.64 . . . . 0.0 110.131 -179.348 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.407 ' HB2' ' O ' ' A' ' 112' ' ' ASP . 0.1 OUTLIER 81.85 -4.14 1.54 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.201 -178.638 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . 0.585 ' O ' ' HB3' ' A' ' 115' ' ' ALA . 1.9 p30 -106.34 -23.64 12.48 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 178.552 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.585 ' HB3' ' O ' ' A' ' 114' ' ' ASN . . . 82.2 55.08 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.128 0 N-CA-C 112.785 0.661 . . . . 0.0 112.785 178.819 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 37.7 p-10 -113.98 -18.2 11.79 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 121.151 -0.219 . . . . 0.0 110.862 179.279 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 79.33 11.91 84.44 Favored Glycine 0 CA--C 1.52 0.344 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.77 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 5.4 mm-40 -125.73 160.99 28.33 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.866 0.365 . . . . 0.0 111.643 -179.498 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.617 ' CD1' HG13 ' A' ' 108' ' ' VAL . 37.0 mm -109.44 103.24 15.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.875 -179.35 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -84.34 161.86 20.25 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 179.065 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -50.62 -37.52 40.74 Favored 'General case' 0 N--CA 1.464 0.241 0 C-N-CA 120.912 -0.315 . . . . 0.0 111.63 -178.507 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.88 -28.78 65.93 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 178.649 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -79.88 -48.98 12.6 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.159 178.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -55.27 -52.16 64.31 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.233 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.496 ' HA ' ' HB1' ' A' ' 138' ' ' ALA . . . -54.78 -41.3 70.35 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.107 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -55.54 -34.17 64.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.751 -179.67 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' TRP . . . . . 0.597 ' CZ2' HD13 ' A' ' 107' ' ' ILE . 14.3 t90 -84.2 -46.58 11.73 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 -178.212 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.57 HD12 ' HA ' ' A' ' 138' ' ' ALA . 22.5 mt -58.49 -40.42 82.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.946 0.403 . . . . 0.0 110.554 -179.508 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . 0.447 HG23 ' O ' ' A' ' 125' ' ' ALA . 68.3 p -72.65 -28.49 62.76 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.36 179.388 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.57 -34.34 74.02 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.999 -179.698 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 51.5 mt -85.94 7.17 25.33 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 111.85 0.315 . . . . 0.0 111.85 -179.453 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 99.19 28.01 7.89 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.378 -0.915 . . . . 0.0 113.959 178.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' MET . . . . . 0.454 ' CE ' HG11 ' A' ' 172' ' ' VAL . 17.3 mmt -98.57 156.81 16.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 117.292 0.546 . . . . 0.0 110.152 179.026 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 29.4 t -81.2 163.28 23.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.892 0.377 . . . . 0.0 111.203 -179.491 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.07 -27.94 69.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.908 -179.231 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -79.86 -22.99 42.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.523 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . 0.422 ' O ' ' HG2' ' A' ' 140' ' ' GLU . 0.0 OUTLIER -72.1 -41.73 66.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.754 -179.103 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . 0.57 ' HA ' HD12 ' A' ' 128' ' ' LEU . . . -64.42 -51.84 61.17 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.529 -179.448 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -50.09 -44.46 51.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.727 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . 0.422 ' HG2' ' O ' ' A' ' 137' ' ' GLU . 11.8 pt-20 -71.67 -41.96 68.08 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.872 0.368 . . . . 0.0 111.141 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . 0.489 ' O ' HG23 ' A' ' 145' ' ' VAL . . . -64.94 -39.79 94.03 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.704 -179.531 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -51.93 -59.33 4.45 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.27 179.193 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 68.3 m-20 -56.46 -35.39 67.86 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.912 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -63.86 -36.93 85.53 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 -179.179 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 0.503 HG22 HD13 ' A' ' 170' ' ' LEU . 15.6 t -83.91 -32.8 8.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 112.751 0.649 . . . . 0.0 112.751 -178.302 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.09 77.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.152 0.501 . . . . 0.0 111.634 -178.611 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . 0.468 ' N ' ' O ' ' A' ' 145' ' ' VAL . 1.3 m -58.03 -33.71 69.28 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.556 -0.747 . . . . 0.0 112.495 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 53.6 p30 -97.54 5.95 48.81 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 -178.692 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 41.1 34.31 0.86 Allowed Glycine 0 C--N 1.335 0.478 0 C-N-CA 121.026 -0.607 . . . . 0.0 113.312 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 6.4 p-10 -90.1 -6.95 54.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.605 0.241 . . . . 0.0 111.571 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 88.82 4.07 76.09 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.53 -0.843 . . . . 0.0 113.35 179.449 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -135.95 137.28 41.14 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-N 117.601 0.7 . . . . 0.0 111.211 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.448 ' HA ' HD23 ' A' ' 153' ' ' LEU . 12.1 mt -101.24 102.46 13.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.96 179.573 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -89.27 166.81 13.54 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-O 121.015 0.436 . . . . 0.0 111.761 -179.721 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 5.0 tt -47.31 -45.63 24.47 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.733 -179.645 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -57.86 -52.15 66.67 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.395 0.617 . . . . 0.0 110.687 179.51 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 157' ' ' GLU . . . . . 0.92 ' O ' HG22 ' A' ' 160' ' ' THR . 30.8 mt-10 -64.4 -21.52 66.67 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.95 -1.023 . . . . 0.0 112.893 -178.286 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . 0.463 HD11 HG13 ' A' ' 119' ' ' ILE . 0.4 OUTLIER -71.91 -30.26 65.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.976 0.417 . . . . 0.0 110.312 179.261 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.892 ' O ' HG12 ' A' ' 162' ' ' VAL . 0.5 OUTLIER -75.26 -39.02 60.2 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.063 -179.885 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 160' ' ' THR . . . . . 0.92 HG22 ' O ' ' A' ' 157' ' ' GLU . 11.1 t -53.37 -21.02 5.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.193 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -62.37 -60.03 4.15 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.05 0.453 . . . . 0.0 110.33 178.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 162' ' ' VAL . . . . . 0.892 HG12 ' O ' ' A' ' 159' ' ' LEU . 12.1 p -50.94 -25.31 3.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.672 179.796 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -46.16 92.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.515 -179.117 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . 0.427 ' N ' ' O ' ' A' ' 162' ' ' VAL . 3.3 m-20 49.66 70.99 0.43 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.477 179.805 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 165' ' ' PHE . . . . . 0.474 ' CG ' ' HG2' ' A' ' 173' ' ' GLU . 44.9 p90 -88.74 -3.57 58.74 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.543 179.48 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . 0.47 ' O ' ' CD1' ' A' ' 167' ' ' PHE . 1.7 p-80 -100.7 47.95 0.91 Allowed 'General case' 0 C--O 1.231 0.093 0 CA-C-O 120.712 0.291 . . . . 0.0 111.339 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 167' ' ' PHE . . . . . 0.47 ' CD1' ' O ' ' A' ' 166' ' ' HIS . 13.1 m-85 -159.06 -45.5 0.06 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.014 0.435 . . . . 0.0 110.792 179.574 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . 165.49 57.59 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 121.114 -0.565 . . . . 0.0 111.837 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 169' ' ' ARG . . . . . 0.413 ' HB2' ' O ' ' A' ' 164' ' ' ASP . 0.0 OUTLIER -108.81 -58.65 1.99 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.819 0.342 . . . . 0.0 111.307 -179.303 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 170' ' ' LEU . . . . . 0.503 HD13 HG22 ' A' ' 145' ' ' VAL . 0.4 OUTLIER -158.99 159.37 34.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.953 0.406 . . . . 0.0 110.324 179.871 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . 0.404 ' O ' ' HB ' ' A' ' 172' ' ' VAL . 3.9 m-20 -50.24 -30.06 10.88 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.179 -179.431 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 172' ' ' VAL . . . . . 0.525 ' O ' HG13 ' A' ' 172' ' ' VAL . 4.0 p 173.86 93.75 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.06 179.456 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 173' ' ' GLU . . . . . 0.474 ' HG2' ' CG ' ' A' ' 165' ' ' PHE . 0.0 OUTLIER -30.61 -72.72 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.525 0 O-C-N 123.595 0.56 . . . . 0.0 112.387 179.898 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -172.69 35.22 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.887 0.375 . . . . 0.0 110.508 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 175' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -127.13 71.65 1.33 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.396 179.768 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 176' ' ' GLY . . . . . 0.465 ' O ' ' CZ2' ' A' ' 16' ' ' TRP . . . . . . . . 0 C--O 1.25 1.103 0 CA-C-O 118.248 -1.307 . . . . 0.0 112.365 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 500' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 501' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 502' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 68.0 p . . . . . 0 N--CA 1.485 1.324 0 CA-C-O 120.898 0.38 . . . . 0.0 111.098 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -69.54 152.14 45.17 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.024 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -71.11 -3.1 18.07 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.989 179.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 37.1 mm -79.34 -33.2 15.32 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.135 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.69 -36.95 77.51 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.854 -179.309 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.8 m -61.72 -49.33 76.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.855 0.359 . . . . 0.0 110.882 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.19 -51.31 66.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.609 -179.371 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.31 -41.4 98.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.385 -178.756 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.922 HD13 HG23 ' A' ' 81' ' ' ILE . 18.2 mt -76.84 -34.44 57.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.585 0.231 . . . . 0.0 111.515 -179.18 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.1 tmtt? -61.43 -56.74 16.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.52 179.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.448 ' O ' ' N ' ' A' ' 15' ' ' ARG . 6.1 mmtp -56.91 -46.75 81.76 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.564 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -47.91 -36.8 12.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.683 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -73.72 -55.38 6.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.922 0.391 . . . . 0.0 110.817 -179.729 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -68.89 -18.74 64.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.214 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -69.55 -18.08 63.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.79 -0.187 . . . . 0.0 111.162 -179.315 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 6.0 m0 -102.38 -94.63 0.3 Allowed 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 121.196 -0.202 . . . . 0.0 111.09 179.725 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 41.68 73.0 0.14 Allowed 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 121.102 0.477 . . . . 0.0 110.951 -179.445 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -53.49 -48.11 69.23 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.603 -178.55 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -97.76 -13.79 21.19 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -178.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 78.75 42.38 13.39 Favored Glycine 0 CA--C 1.52 0.369 0 C-N-CA 120.468 -0.872 . . . . 0.0 113.388 179.522 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 44.0 p-10 -93.89 -13.73 26.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 117.096 0.448 . . . . 0.0 111.703 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 87.86 21.31 47.19 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.42 -0.895 . . . . 0.0 112.218 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -155.44 169.96 23.03 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.721 0.296 . . . . 0.0 110.798 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -111.11 121.58 45.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.76 179.553 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -120.66 174.36 6.62 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.108 0.48 . . . . 0.0 110.454 179.66 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.41 ' NH2' ' OG ' ' A' ' 71' ' ' SER . 6.8 ttm180 -67.82 -37.97 82.62 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.198 -179.722 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.0 -20.21 62.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.172 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -68.68 -31.76 71.09 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.191 179.681 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -77.08 -37.96 53.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.993 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -63.78 -41.5 97.95 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 20.8 mmtt -67.13 -45.45 77.07 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.757 178.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.433 ' O ' HG12 ' A' ' 36' ' ' ILE . 2.1 tt0 -52.11 -52.88 48.67 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.236 179.68 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -51.28 -51.54 53.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.137 0.494 . . . . 0.0 110.609 179.503 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 8.3 tp60 -60.65 -49.86 75.82 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.657 -0.702 . . . . 0.0 110.851 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -51.52 -23.97 4.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.768 -179.549 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.434 ' CD1' HD21 ' A' ' 131' ' ' LEU . 8.6 mm -85.01 -52.79 11.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.432 179.688 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -44.65 -43.92 8.64 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 120.84 0.352 . . . . 0.0 111.605 -179.299 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.77 -40.02 90.97 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.179 179.683 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -58.96 -29.81 67.44 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.092 -179.738 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -87.67 3.2 48.75 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.78 179.535 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 46.58 76.3 0.14 Allowed Glycine 0 C--N 1.339 0.716 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.468 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.01 -151.69 0.4 Allowed 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 110.321 -0.251 . . . . 0.0 110.321 -179.514 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -66.43 -172.98 0.18 Allowed 'General case' 0 CA--C 1.528 0.12 0 CA-C-O 120.785 0.326 . . . . 0.0 111.402 -178.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.854 ' O ' HG11 ' A' ' 49' ' ' VAL . . . -138.67 -60.56 0.59 Allowed 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 178.346 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -95.17 24.87 26.84 Favored Glycine 0 CA--C 1.521 0.422 0 CA-C-N 115.168 -0.924 . . . . 0.0 112.411 179.639 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.52 -167.25 0.24 Allowed 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 117.147 0.474 . . . . 0.0 111.82 179.552 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -85.23 -52.56 5.82 Favored 'General case' 0 C--O 1.23 0.076 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.887 179.483 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.494 ' HB3' ' HG2' ' A' ' 110' ' ' MET . 32.6 mm-40 -52.89 -36.27 59.04 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.143 -178.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.854 HG11 ' O ' ' A' ' 44' ' ' ALA . 7.6 p -77.36 -40.69 29.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.279 -0.418 . . . . 0.0 109.901 179.399 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.8 tt0 -59.79 -42.49 93.51 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 178.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 3.2 m -57.9 -56.03 27.27 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.41 178.707 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 13.7 tp -50.85 -60.82 2.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.957 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.1 -37.83 35.73 Favored 'General case' 0 N--CA 1.462 0.159 0 C-N-CA 121.058 -0.257 . . . . 0.0 110.569 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -59.83 -41.98 92.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.784 0.326 . . . . 0.0 110.268 179.232 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.51 -45.64 78.9 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.759 179.497 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -57.74 -31.55 66.57 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.977 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -63.61 -50.63 60.36 Favored Glycine 0 C--N 1.331 0.299 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.559 179.544 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -61.79 -29.41 72.14 Favored Glycine 0 C--N 1.333 0.363 0 C-N-CA 120.564 -0.827 . . . . 0.0 111.993 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.555 HD13 HG21 ' A' ' 103' ' ' VAL . 41.0 tp -56.0 -42.62 76.67 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.601 0.239 . . . . 0.0 111.036 -179.789 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.47 ' CE1' ' HB2' ' A' ' 64' ' ' ALA . 32.8 t80 -61.19 -38.79 87.82 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.614 -0.266 . . . . 0.0 111.042 179.833 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -44.67 -45.63 9.82 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 121.034 0.445 . . . . 0.0 111.025 179.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.722 ' CD1' HG21 ' A' ' 99' ' ' VAL . 7.9 t80 -59.14 -39.35 82.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.944 179.74 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 93.8 mt -66.52 -56.95 8.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.81 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.47 ' HB2' ' CE1' ' A' ' 60' ' ' PHE . . . -53.74 -47.2 70.86 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.308 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.4 ttmt -65.22 -54.2 33.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.44 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -60.86 -41.54 96.1 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 120.822 0.344 . . . . 0.0 110.878 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -77.8 -22.9 49.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.738 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 71.52 51.48 16.34 Favored Glycine 0 CA--C 1.519 0.307 0 C-N-CA 121.057 -0.592 . . . . 0.0 114.082 178.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.596 HG13 ' H ' ' A' ' 70' ' ' GLY . 0.4 OUTLIER -123.69 -79.79 0.25 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 CA-C-N 116.777 0.288 . . . . 0.0 111.038 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.596 ' H ' HG13 ' A' ' 69' ' ' VAL . . . 168.01 157.77 11.43 Favored Glycine 0 CA--C 1.52 0.354 0 C-N-CA 121.071 -0.585 . . . . 0.0 112.104 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.41 ' OG ' ' NH2' ' A' ' 26' ' ' ARG . 37.2 t -63.36 -19.11 64.36 Favored 'General case' 0 C--N 1.33 -0.257 0 O-C-N 122.664 -0.315 . . . . 0.0 111.585 179.29 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 23.6 p30 -114.41 12.51 17.5 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.694 -179.08 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -94.18 -164.18 36.15 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.388 -0.91 . . . . 0.0 112.914 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 85.0 p -142.05 154.7 45.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.82 0.343 . . . . 0.0 111.428 -179.096 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -116.47 144.49 44.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.672 179.446 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 12.4 p -87.05 177.22 7.28 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.009 0.433 . . . . 0.0 111.433 -179.525 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -65.94 -50.48 64.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.138 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -58.93 -26.42 64.36 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.882 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 23.8 mm-40 -71.26 -46.02 61.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.779 0.323 . . . . 0.0 111.122 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.407 ' O ' ' CB ' ' A' ' 84' ' ' THR . 68.4 t80 -52.79 -49.42 65.64 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.063 0.459 . . . . 0.0 110.923 179.713 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.922 HG23 HD13 ' A' ' 9' ' ' LEU . 50.8 mt -55.58 -56.17 13.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.532 -179.714 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -55.58 -52.79 62.56 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.74 -179.276 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 15.6 t -71.75 -36.37 58.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 -178.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.407 ' CB ' ' O ' ' A' ' 80' ' ' PHE . 26.0 m -63.43 -43.91 96.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.06 0.457 . . . . 0.0 110.024 179.607 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -50.43 -53.05 32.38 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.471 179.717 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -59.55 -38.7 81.79 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.36 -179.589 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.7 mt -58.06 -48.56 79.74 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.814 0.34 . . . . 0.0 111.008 179.78 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 6.3 mt -74.51 -37.07 43.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.228 -179.693 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -88.75 -81.63 0.26 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.862 0.363 . . . . 0.0 110.409 179.37 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.406 ' O ' ' HB2' ' A' ' 91' ' ' GLN . 0.4 OUTLIER -62.01 -162.35 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.831 179.819 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.406 ' HB2' ' O ' ' A' ' 90' ' ' GLU . 72.4 mm-40 73.31 134.94 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.059 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -78.2 158.27 45.73 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.462 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -53.01 -51.26 62.22 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.922 0.392 . . . . 0.0 111.08 -179.723 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.76 -13.26 30.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.946 -0.57 . . . . 0.0 112.232 -179.723 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 53.0 m -77.04 -48.59 17.46 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.935 0.398 . . . . 0.0 111.177 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.513 ' HE1' HD22 ' A' ' 100' ' ' LEU . 0.7 OUTLIER -66.81 -43.07 84.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.921 -179.734 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.415 ' O ' ' N ' ' A' ' 101' ' ' GLY . 6.5 m-20 -68.74 -34.39 75.53 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.702 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 1.7 ttp180 -62.14 -66.58 0.52 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.742 0.306 . . . . 0.0 111.507 -178.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.722 HG21 ' CD1' ' A' ' 62' ' ' TYR . 67.8 t -69.68 -35.12 64.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 112.47 0.544 . . . . 0.0 112.47 -178.236 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.513 HD22 ' HE1' ' A' ' 96' ' ' PHE . 0.6 OUTLIER -89.22 -26.07 21.41 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 119.587 -0.845 . . . . 0.0 111.901 -178.532 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 97' ' ' ASN . . . -38.6 -63.46 1.0 Allowed Glycine 0 CA--C 1.523 0.557 0 C-N-CA 121.227 -0.511 . . . . 0.0 113.142 179.682 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo -63.84 -9.34 18.5 Favored 'Trans proline' 0 CA--C 1.532 0.416 0 C-N-CA 122.684 2.256 . . . . 0.0 112.83 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.555 HG21 HD13 ' A' ' 59' ' ' LEU . 41.2 t -80.08 -54.9 10.02 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 CA-C-O 120.662 0.268 . . . . 0.0 111.022 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.879 ' O ' HG23 ' A' ' 108' ' ' VAL . 97.2 t -66.85 -31.66 54.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 121.061 0.457 . . . . 0.0 110.81 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 7.1 mttt -58.82 -47.03 86.22 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.025 178.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -51.87 -40.84 50.58 Favored Glycine 0 C--N 1.334 0.453 0 CA-C-N 115.86 -0.609 . . . . 0.0 112.696 179.726 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 78.1 mt -71.87 -39.47 67.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.992 0.425 . . . . 0.0 110.385 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.879 HG23 ' O ' ' A' ' 104' ' ' VAL . 13.9 t -64.45 -36.54 77.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.298 179.49 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -63.32 -37.95 95.66 Favored Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.885 -0.674 . . . . 0.0 112.94 -179.496 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . 0.494 ' HG2' ' HB3' ' A' ' 48' ' ' GLU . 92.0 mtp -79.36 -24.73 42.48 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.712 0.291 . . . . 0.0 110.578 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 78.9 m -98.5 -17.81 18.54 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 113.293 0.849 . . . . 0.0 113.293 -177.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -67.51 103.74 1.4 Allowed 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.291 -0.564 . . . . 0.0 111.408 -178.57 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 23.0 mmtp -87.49 -17.93 31.0 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.057 179.208 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 40.3 p30 -110.69 1.48 17.95 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.768 -0.196 . . . . 0.0 111.342 179.239 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . 41.62 64.46 1.05 Allowed 'General case' 0 N--CA 1.462 0.172 0 N-CA-C 111.914 0.339 . . . . 0.0 111.914 179.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 56.7 p30 -121.81 -8.22 8.95 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 111.647 0.239 . . . . 0.0 111.647 179.24 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 83.19 4.98 89.44 Favored Glycine 0 C--N 1.334 0.447 0 C-N-CA 121.004 -0.617 . . . . 0.0 113.214 179.703 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -123.22 162.71 22.05 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.995 0.426 . . . . 0.0 110.926 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.561 HG13 HD11 ' A' ' 158' ' ' LEU . 49.3 mm -105.8 102.15 13.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.386 -179.62 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -84.12 162.35 20.31 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 179.617 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.417 ' HA ' ' CE2' ' A' ' 142' ' ' PHE . . . -53.38 -38.57 63.48 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 121.015 -0.274 . . . . 0.0 111.276 -179.146 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -70.21 -25.49 63.43 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.924 -0.398 . . . . 0.0 109.924 179.235 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -82.54 -46.87 12.83 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.978 -0.379 . . . . 0.0 109.978 178.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . 0.486 ' CD1' HG21 ' A' ' 119' ' ' ILE . 0.8 OUTLIER -56.9 -46.7 81.75 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.872 0.367 . . . . 0.0 111.073 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -59.23 -45.31 91.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.43 -179.596 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -55.31 -32.39 62.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.427 -179.487 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' TRP . . . . . 0.402 ' O ' ' HB3' ' A' ' 130' ' ' ALA . 17.0 t90 -87.85 -41.3 13.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.602 0.239 . . . . 0.0 111.564 -178.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.469 HD22 ' HA ' ' A' ' 138' ' ' ALA . 0.2 OUTLIER -56.64 -42.42 78.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.925 0.393 . . . . 0.0 110.217 179.852 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 12.4 p -70.13 -25.3 63.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.37 179.265 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . 0.402 ' HB3' ' O ' ' A' ' 127' ' ' TRP . . . -66.67 -38.3 86.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.596 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.434 HD21 ' CD1' ' A' ' 36' ' ' ILE . 12.7 mt -81.65 6.41 15.25 Favored 'General case' 0 N--CA 1.464 0.271 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 -177.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 99.77 22.81 11.61 Favored Glycine 0 CA--C 1.518 0.263 0 C-N-CA 120.391 -0.909 . . . . 0.0 113.231 179.051 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' MET . . . . . 0.406 ' HB2' ' O ' ' A' ' 128' ' ' LEU . 7.6 mmt -99.72 156.07 17.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.729 0.265 . . . . 0.0 110.721 179.504 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 1.1 m -82.21 169.17 16.89 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.138 0.494 . . . . 0.0 111.748 -179.515 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 1.8 mmtp -70.07 -18.57 63.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.858 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -89.16 -24.7 22.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.934 0.397 . . . . 0.0 110.953 179.54 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -69.25 -40.95 77.55 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.606 -179.028 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . 0.469 ' HA ' HD22 ' A' ' 128' ' ' LEU . . . -61.0 -61.05 2.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.817 0.341 . . . . 0.0 111.24 -179.566 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -44.96 -45.16 10.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.118 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.57 -49.28 55.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.86 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . 0.707 ' O ' HG23 ' A' ' 145' ' ' VAL . . . -62.07 -40.07 94.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.397 -179.444 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' PHE . . . . . 0.417 ' CE2' ' HA ' ' A' ' 121' ' ' ALA . 55.0 t80 -49.8 -58.92 4.4 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.979 179.347 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -55.91 -38.04 69.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.091 -0.504 . . . . 0.0 112.125 -179.334 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -63.41 -35.2 79.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.974 0.416 . . . . 0.0 111.224 -179.506 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 0.707 HG23 ' O ' ' A' ' 141' ' ' ALA . 13.2 t -83.72 -38.36 14.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.752 -0.658 . . . . 0.0 112.754 -178.12 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.92 78.31 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.037 0.446 . . . . 0.0 111.51 -179.007 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . 0.451 ' N ' ' O ' ' A' ' 145' ' ' VAL . 1.9 m -56.84 -29.84 63.23 Favored 'General case' 0 N--CA 1.463 0.208 0 N-CA-C 112.959 0.726 . . . . 0.0 112.959 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -102.6 8.38 39.77 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -178.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 38.14 35.03 0.24 Allowed Glycine 0 C--N 1.339 0.71 0 C-N-CA 121.305 -0.474 . . . . 0.0 113.452 179.546 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 15.6 p-10 -91.53 -4.59 55.27 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 -179.275 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 92.08 -1.03 73.27 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.414 -0.898 . . . . 0.0 113.366 179.251 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -134.67 135.01 41.74 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 117.269 0.535 . . . . 0.0 110.525 179.633 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.469 ' HA ' HD23 ' A' ' 153' ' ' LEU . 8.3 mt -93.39 113.13 25.22 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.899 178.841 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.4 157.11 17.77 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.968 -179.223 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 155' ' ' LEU . . . . . 0.415 ' O ' ' HG ' ' A' ' 159' ' ' LEU . 46.1 mt -49.62 -42.91 46.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.404 179.594 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.58 -53.57 54.84 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.39 -179.7 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -63.13 -19.86 64.85 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.648 0.61 . . . . 0.0 112.648 -178.608 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . 0.856 ' O ' HG23 ' A' ' 162' ' ' VAL . 62.8 mt -75.05 -69.69 0.46 Allowed 'General case' 0 CA--C 1.53 0.187 0 CA-C-O 121.065 0.46 . . . . 0.0 110.973 179.088 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.555 ' CD2' HG21 ' A' ' 104' ' ' VAL . 0.7 OUTLIER -41.5 -49.35 3.98 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.648 -179.142 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -52.07 -64.4 0.83 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.889 0.376 . . . . 0.0 110.572 -179.677 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 161' ' ' ALA . . . . . 0.445 ' C ' HG12 ' A' ' 172' ' ' VAL . . . -59.04 -43.13 91.6 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.817 179.259 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 162' ' ' VAL . . . . . 0.856 HG23 ' O ' ' A' ' 158' ' ' LEU . 85.6 t -50.85 147.93 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.986 178.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 44.07 29.36 0.33 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.616 179.346 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 33.5 t0 -150.25 101.78 3.02 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.998 0.428 . . . . 0.0 110.79 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 165' ' ' PHE . . . . . 0.425 ' O ' ' CB ' ' A' ' 169' ' ' ARG . 3.2 p90 -101.91 -14.74 17.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.066 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 76.99 53.76 0.04 OUTLIER 'General case' 0 CA--C 1.522 -0.123 0 CA-C-O 120.892 0.377 . . . . 0.0 110.189 -179.513 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 167' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER 49.67 95.7 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.921 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . 63.35 83.88 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.49 -0.862 . . . . 0.0 112.384 -179.753 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 169' ' ' ARG . . . . . 0.425 ' CB ' ' O ' ' A' ' 165' ' ' PHE . 0.0 OUTLIER 174.01 -171.27 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.089 0.471 . . . . 0.0 111.628 -179.811 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 16.7 tp -148.51 119.16 7.48 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.002 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . 0.623 ' O ' HG22 ' A' ' 145' ' ' VAL . 34.4 t0 -111.14 -22.23 11.53 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.841 179.505 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 172' ' ' VAL . . . . . 0.463 ' O ' ' CG ' ' A' ' 173' ' ' GLU . 11.0 p -179.05 -37.88 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.972 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 173' ' ' GLU . . . . . 0.463 ' CG ' ' O ' ' A' ' 172' ' ' VAL . 4.4 pt-20 53.84 160.39 0.01 OUTLIER 'General case' 0 CA--C 1.521 -0.143 0 CA-C-N 115.104 -0.953 . . . . 0.0 111.035 -179.556 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 174' ' ' LEU . . . . . 0.405 ' HB2' HG13 ' A' ' 162' ' ' VAL . 0.6 OUTLIER -148.39 38.94 0.88 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 -179.624 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 175' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -120.76 -58.02 1.85 Allowed 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.562 179.511 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.418 -1.212 . . . . 0.0 112.703 179.61 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 500' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 501' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 502' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_