data_1scv_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 1scv _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 ' 94' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.887 0.375 . . . . 0.0 110.599 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.7 -19.8 62.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.858 179.665 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.95 -3.08 46.68 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.419 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.417 HD21 ' CE2' ' A' ' 153' ' ' PHE . 54.0 mt -59.51 -19.35 47.47 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.536 -179.72 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 43.4 t -69.36 -33.19 72.71 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.791 0.329 . . . . 0.0 111.085 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -81.04 -32.1 34.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.084 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 15.1 mt -68.38 -28.83 67.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.999 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.438 ' CE1' ' HA ' ' A' ' 149' ' ' ASP . 70.6 t80 -61.62 -53.17 59.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.149 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 36.0 mtm180 -56.24 -31.56 63.66 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.005 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 26.3 mtt -64.28 -20.79 66.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.141 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -95.57 -20.48 18.95 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.212 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -82.31 143.65 31.14 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.821 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 4.6 mmpt? -97.01 -33.93 11.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.998 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 34.9 p30 -116.35 -9.34 11.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.309 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 63.69 63.76 0.83 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.868 0.366 . . . . 0.0 111.033 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -104.86 -5.92 20.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.393 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 104.54 -14.03 50.56 Favored Glycine 0 C--N 1.332 0.319 0 C-N-CA 120.608 -0.806 . . . . 0.0 112.722 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -145.09 152.2 39.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.734 0.302 . . . . 0.0 110.736 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 2.8 mt -127.67 153.2 36.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.965 0.412 . . . . 0.0 111.218 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -135.92 175.02 9.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.752 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 4.0 tp -54.37 -40.64 68.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.227 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -58.14 -47.92 81.84 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.898 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -71.23 -53.09 15.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.749 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 14.8 tp -51.63 -29.02 16.19 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.173 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 42.1 tttt -59.97 -41.67 92.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.836 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 2.9 mp -72.51 -26.7 24.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.136 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 4.6 ttp -69.75 -38.66 76.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.855 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.05 -27.28 67.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.985 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 -57.24 -23.59 49.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.851 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -55.78 -45.7 78.1 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.069 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 70.5 p -65.44 170.98 4.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.563 179.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -113.84 26.46 9.99 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.556 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -101.72 -167.01 1.36 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.749 0.309 . . . . 0.0 110.849 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 5.0 p -119.19 111.04 17.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.762 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 28.7 mm -112.65 141.8 27.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.13 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 2.4 p -103.36 166.48 10.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.801 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -59.3 -30.2 68.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.919 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -76.37 -30.79 57.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.909 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -69.45 -43.55 73.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.959 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 22.0 mt -63.73 -22.32 30.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.251 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -73.23 -35.29 66.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.973 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -57.27 -32.69 66.86 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.14 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 1.7 mt -70.59 -44.98 66.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.99 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.94 -35.98 64.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.99 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 2.8 tttt -59.24 -71.2 0.13 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.99 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 28.2 p-10 -58.99 -19.73 46.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.621 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -88.59 -27.04 25.78 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.471 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 56.7 t0 -68.13 110.93 4.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.831 0.348 . . . . 0.0 110.929 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 14.0 mmmt -109.19 -30.18 8.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.994 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -87.83 -4.42 58.87 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.209 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 63.27 26.37 15.09 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.797 0.332 . . . . 0.0 111.213 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 35.8 p-10 -98.01 -22.65 16.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.714 179.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 101.4 7.69 48.39 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.812 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -128.13 -172.12 2.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.873 0.368 . . . . 0.0 110.951 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 47.4 mt -146.23 134.4 15.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.979 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . 0.438 ' HA ' ' CE1' ' A' ' 101' ' ' PHE . 5.8 p-10 -134.14 -173.4 3.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.752 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -58.96 -27.58 65.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.141 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -77.09 -52.89 8.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.722 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -67.35 -25.31 65.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.027 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 153' ' ' PHE . . . . . 0.417 ' CE2' HD21 ' A' ' 97' ' ' LEU . 15.5 t80 -72.64 -41.42 65.5 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.825 0.345 . . . . 0.0 110.876 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -63.87 -31.76 73.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.917 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -83.65 -41.57 17.63 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . 0.448 ' CD1' HG11 ' A' ' 160' ' ' VAL . 20.7 t80 -64.21 -22.48 66.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.098 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 21.3 mmt -101.0 13.27 35.76 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.429 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -91.41 35.19 0.94 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.688 0.28 . . . . 0.0 111.356 -179.712 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 104.39 81.68 1.52 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.622 -0.799 . . . . 0.0 112.674 179.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . 0.448 HG11 ' CD1' ' A' ' 156' ' ' PHE . 1.1 m . . . . . 0 C--N 1.328 -0.36 0 CA-C-O 120.839 0.352 . . . . 0.0 111.2 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.972 0.415 . . . . 0.0 110.246 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -56.31 -23.36 36.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.774 179.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.71 -5.82 49.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.258 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.421 HD23 ' CE2' ' A' ' 153' ' ' PHE . 19.9 mt -51.26 -25.79 6.23 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.704 0.287 . . . . 0.0 111.41 -179.736 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 19.9 p -60.78 -31.12 70.49 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.879 0.371 . . . . 0.0 110.99 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.98 -39.7 65.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.916 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 4.3 mp -70.5 -24.76 62.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.094 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.426 ' CZ ' ' HA ' ' A' ' 149' ' ' ASP . 76.0 t80 -58.36 -46.58 86.0 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.018 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 15.1 mtm180 -56.78 -36.28 69.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.97 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 20.0 mmm -59.75 -21.04 60.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.106 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -98.73 -20.17 17.08 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.208 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.14 151.42 22.21 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.899 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.63 -31.03 11.79 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.004 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 15.8 p30 -114.27 -14.11 12.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.302 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 64.62 62.57 0.78 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.946 0.403 . . . . 0.0 111.064 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -106.1 -25.37 12.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.999 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 125.14 -11.16 7.73 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.791 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.431 ' CD2' ' HB3' ' A' ' 149' ' ' ASP . 3.5 m-85 -143.13 146.41 33.72 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.738 0.304 . . . . 0.0 110.865 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 5.6 mt -128.05 154.46 38.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.035 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -138.59 -177.77 5.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.954 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.24 -30.34 66.45 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.9 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.91 -57.35 10.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.773 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -72.02 -49.36 37.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.951 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 2.6 tp -52.86 -27.15 17.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.319 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -74.96 -29.14 60.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.018 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.495 HD11 HG23 ' A' ' 119' ' ' ILE . 26.4 mt -71.79 -49.41 45.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.179 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 1.2 ptm -58.68 -30.22 67.21 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.823 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.437 ' CD2' ' HB ' ' A' ' 128' ' ' ILE . 2.2 tp -63.86 -31.44 72.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.741 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 69.5 mm-40 -62.61 -26.04 68.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.688 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -56.79 -46.82 81.32 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.06 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 20.2 p -60.39 170.19 1.44 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.567 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -113.94 23.5 12.92 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.518 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -98.7 -170.2 1.9 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.838 0.352 . . . . 0.0 110.837 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 24.7 p -120.07 100.38 7.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.774 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . 0.437 ' HB ' ' CD2' ' A' ' 121' ' ' LEU . 3.9 mp -113.2 141.62 28.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.974 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 77.2 p -94.27 167.29 11.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.853 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.86 -30.89 67.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.796 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -75.74 -27.82 58.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.973 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -70.75 -40.5 72.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.956 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 8.1 mt -65.5 -17.54 22.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.437 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -70.34 -53.24 17.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.89 0.376 . . . . 0.0 110.942 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -62.17 -20.75 64.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.224 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.27 -41.38 85.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.853 0.359 . . . . 0.0 110.966 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 26.2 mtp -75.9 -20.56 57.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.319 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 18.2 mmtt -56.92 -70.87 0.11 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.746 0.308 . . . . 0.0 111.201 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 22.7 p-10 -54.45 -24.42 20.07 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.567 -179.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -87.39 -23.64 39.45 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.509 -0.853 . . . . 0.0 112.567 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -81.08 97.0 7.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.814 0.34 . . . . 0.0 111.072 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 4.8 mmmt -98.06 -25.47 14.93 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.919 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -83.76 -12.31 55.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.074 179.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 62.25 29.38 17.38 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.168 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 34.8 p-10 -100.62 13.65 34.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.258 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 67.7 25.79 73.94 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.72 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 11.4 mtt180 -156.99 -172.82 4.18 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.725 0.297 . . . . 0.0 110.958 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 47.9 mt -142.32 134.95 27.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.091 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . 0.431 ' HB3' ' CD2' ' A' ' 111' ' ' TYR . 6.9 p30 -134.45 172.17 13.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.728 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 36.9 t80 -59.79 -24.02 63.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.407 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -70.13 -62.61 1.32 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.817 0.342 . . . . 0.0 111.075 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -72.84 -23.58 60.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.237 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 153' ' ' PHE . . . . . 0.421 ' CE2' HD23 ' A' ' 97' ' ' LEU . 17.4 t80 -62.16 -31.44 71.94 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.887 0.375 . . . . 0.0 110.697 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.84 -25.68 68.01 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.061 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -84.17 -34.23 24.04 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -62.86 -30.98 71.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.951 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -101.69 12.4 37.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.309 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.65 33.88 1.0 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.356 -179.736 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 103.51 73.26 0.94 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.565 -0.826 . . . . 0.0 112.598 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 1.6 m . . . . . 0 C--N 1.33 -0.275 0 CA-C-O 120.81 0.338 . . . . 0.0 111.092 179.937 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.881 0.372 . . . . 0.0 110.667 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -59.88 -29.58 68.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.829 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.01 -19.88 61.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.135 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 89.3 mt -50.08 -26.25 4.25 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.504 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 21.3 t -67.34 -49.58 63.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.826 0.346 . . . . 0.0 110.933 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -64.92 -42.24 94.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.984 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -55.43 -27.44 47.95 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.2 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -62.48 -51.17 68.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.779 0.323 . . . . 0.0 110.967 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -56.02 -30.53 62.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.945 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 1.1 mmt -62.71 -21.98 66.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.075 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -94.16 -20.11 20.17 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.111 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -92.39 147.62 22.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.799 0.333 . . . . 0.0 110.862 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.02 -29.78 11.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.921 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 22.6 p-10 -113.42 -14.34 12.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.229 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 66.03 72.25 0.4 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.857 0.361 . . . . 0.0 111.066 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -110.61 -27.35 8.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.103 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 125.13 -8.32 8.01 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.886 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.422 ' CD2' ' HB3' ' A' ' 149' ' ' ASP . 1.9 m-85 -147.85 151.91 36.74 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.821 0.343 . . . . 0.0 110.675 179.776 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 3.3 mt -128.09 153.69 37.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.007 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -135.63 -170.62 2.65 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.939 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 3.4 tt -66.67 -35.77 80.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.131 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -60.51 -51.07 70.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.04 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -72.12 -53.86 11.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.962 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 11.6 tp -51.1 -27.72 9.0 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.264 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 4.9 ttmm -70.36 -28.25 64.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.023 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 30.4 mt -70.94 -48.54 55.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.13 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 6.0 ptm -61.27 -31.33 71.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.952 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.2 -31.44 68.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.846 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -65.98 -25.89 67.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.638 179.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -57.93 -44.72 87.09 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.992 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 62.8 p -59.83 176.32 0.3 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.619 179.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -114.21 23.98 12.04 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.431 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -100.38 -172.75 2.26 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.731 0.301 . . . . 0.0 110.869 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -120.02 104.7 10.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.845 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 24.0 mm -112.32 149.48 14.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.134 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 10.2 p -108.95 166.22 10.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.787 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -64.73 -30.75 71.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -69.74 -31.54 69.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.945 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.93 -40.21 75.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.947 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 10.2 mt -66.91 -25.25 33.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.245 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -69.39 -39.84 77.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.88 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -70.22 -30.97 68.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.985 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.53 -47.99 83.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.969 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 15.8 mmm -75.19 -24.45 57.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.126 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 10.5 tptt -56.72 -68.33 0.23 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.105 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 29.8 p-10 -60.43 -19.06 54.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.534 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . 0.43 ' HA2' ' CD1' ' A' ' 156' ' ' PHE . . . -86.54 -32.43 15.93 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.59 -0.814 . . . . 0.0 112.348 179.749 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -69.2 123.06 20.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.916 0.388 . . . . 0.0 111.05 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 4.6 mmtm -108.99 -25.45 10.71 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.98 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 19.0 p-10 -104.67 -2.94 24.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.266 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 66.36 28.44 9.75 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.667 0.27 . . . . 0.0 111.115 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 42.3 p-10 -87.82 5.03 42.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.377 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 67.03 28.99 73.99 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.851 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 42.9 mtt180 -156.86 -177.23 6.46 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.813 0.34 . . . . 0.0 111.057 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 32.2 mm -141.56 141.42 30.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.083 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . 0.422 ' HB3' ' CD2' ' A' ' 111' ' ' TYR . 4.3 p30 -137.5 -176.17 4.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 150' ' ' TYR . . . . . 0.422 ' CE1' ' CD2' ' A' ' 154' ' ' LEU . 38.3 t80 -59.94 -27.26 66.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.131 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.39 -50.05 12.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.822 0.344 . . . . 0.0 110.716 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -68.45 -26.55 65.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.092 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -73.18 -46.33 51.32 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.951 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . 0.422 ' CD2' ' CE1' ' A' ' 150' ' ' TYR . 5.3 mp -56.28 -32.1 64.26 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.941 -179.832 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -85.35 -37.21 20.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.778 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . 0.45 ' CD1' HG13 ' A' ' 160' ' ' VAL . 26.4 t80 -66.29 -26.72 67.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.066 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 1.2 mmt -96.58 11.56 34.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.363 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 8.0 mttt -91.2 37.21 0.93 Allowed 'General case' 0 C--O 1.232 0.153 0 CA-C-O 120.754 0.311 . . . . 0.0 111.476 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 100.06 82.35 1.66 Allowed Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.755 179.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . 0.45 HG13 ' CD1' ' A' ' 156' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--N 1.33 -0.252 0 CA-C-O 120.835 0.35 . . . . 0.0 111.16 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.829 0.347 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -79.93 -10.52 59.78 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.143 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -84.09 -25.34 29.84 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.86 0.362 . . . . 0.0 111.109 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 38.2 mt -57.9 -20.05 34.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.628 -179.674 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.8 t -71.18 -47.56 56.85 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.73 0.3 . . . . 0.0 110.995 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -67.55 -39.34 84.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.071 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.89 -28.43 64.54 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.05 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.426 ' CZ ' ' HA ' ' A' ' 149' ' ' ASP . 31.7 t80 -55.49 -30.35 60.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.927 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.1 -32.1 73.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.791 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 5.3 mmm -60.06 -52.55 64.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.828 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -67.29 -26.13 66.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.997 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -82.71 151.25 26.3 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.865 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.11 -47.43 3.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.82 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -79.24 -23.17 43.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.963 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 65.21 41.06 4.63 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.845 0.355 . . . . 0.0 111.042 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 22.4 p-10 -97.96 -23.77 15.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.114 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 125.07 -1.24 8.37 Favored Glycine 0 CA--C 1.52 0.373 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.839 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.428 ' CD2' ' HB3' ' A' ' 149' ' ' ASP . 15.5 m-85 -145.43 150.81 37.19 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.819 0.342 . . . . 0.0 110.807 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 17.0 mt -127.95 154.34 38.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.012 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -132.94 -175.9 3.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.998 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -62.74 -33.3 74.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.24 -179.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -58.36 -44.82 88.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.137 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -71.82 -33.74 68.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.13 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 86.9 mt -55.43 -48.14 74.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.764 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 22.1 mttt -59.54 -27.49 66.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.636 179.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 42.8 mt -75.97 -58.83 3.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.178 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 1.9 ptm -59.52 -31.12 69.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.011 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -70.05 -30.83 68.19 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.893 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 7.4 mm-40 -62.92 -25.0 68.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.591 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -56.56 -46.38 80.74 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.976 179.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 11.5 p -62.57 174.86 0.89 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.496 179.688 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -114.07 19.43 17.87 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.624 -0.798 . . . . 0.0 112.588 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -107.41 124.48 49.91 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.914 0.387 . . . . 0.0 110.738 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 46.7 p -59.99 104.57 0.31 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.063 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 29.5 mm -97.3 155.51 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.973 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 15.1 t -111.44 160.06 17.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.796 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -59.34 -35.05 73.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.932 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.72 -30.81 71.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.975 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.99 -37.04 58.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.898 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 16.8 mt -69.56 -31.85 50.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.127 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -65.6 -57.38 8.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.977 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.09 -21.59 46.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.23 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.25 -50.22 74.35 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.843 0.354 . . . . 0.0 110.874 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.03 -22.24 61.42 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.195 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 10.6 tttt -49.84 -72.49 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.809 0.338 . . . . 0.0 111.348 -179.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . 0.423 ' OD2' ' CZ ' ' A' ' 156' ' ' PHE . 19.2 p-10 -63.61 -31.52 72.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.358 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . 0.417 ' N ' ' OD1' ' A' ' 139' ' ' ASP . . . -69.65 -26.08 74.83 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.491 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -88.91 117.98 28.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.787 0.327 . . . . 0.0 110.854 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.75 -24.81 16.33 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.096 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 31.1 p30 -116.35 18.04 15.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.108 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 15.8 p30 43.2 42.98 3.75 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.643 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 35.9 p-10 -93.06 14.36 18.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.278 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 62.86 15.87 55.88 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.944 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 49.3 mtt180 -149.1 -177.88 6.07 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.788 0.327 . . . . 0.0 110.934 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . 0.424 HD13 HG21 ' A' ' 148' ' ' ILE . 36.1 mt -148.4 137.69 15.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.26 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . 0.428 ' HB3' ' CD2' ' A' ' 111' ' ' TYR . 4.1 p30 -134.16 177.86 7.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.591 179.631 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 150' ' ' TYR . . . . . 0.424 ' CZ ' HD22 ' A' ' 154' ' ' LEU . 19.8 t80 -56.71 -38.28 72.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.83 0.348 . . . . 0.0 110.95 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.48 -55.41 31.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.697 179.802 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -71.07 -27.77 63.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.057 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -72.33 -42.74 65.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.886 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . 0.424 HD22 ' CZ ' ' A' ' 150' ' ' TYR . 11.9 mt -56.11 -31.74 63.56 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.838 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -82.64 -34.6 27.45 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.742 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . 0.423 ' CZ ' ' OD2' ' A' ' 139' ' ' ASP . 16.3 t80 -68.42 -34.08 75.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.671 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -90.06 2.55 55.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.157 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.04 45.66 1.26 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.857 0.36 . . . . 0.0 110.972 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 104.26 76.03 1.07 Allowed Glycine 0 N--CA 1.453 -0.204 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.4 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 2.8 t . . . . . 0 C--N 1.328 -0.345 0 CA-C-O 120.821 0.343 . . . . 0.0 111.107 -179.826 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.877 0.37 . . . . 0.0 110.802 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.65 -24.31 21.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.027 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -90.54 12.51 18.52 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.361 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.425 HD21 ' CE2' ' A' ' 153' ' ' PHE . 31.5 mt -65.19 -29.07 69.85 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.758 0.313 . . . . 0.0 110.891 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' SER . . . . . 0.407 ' HB2' ' CZ ' ' A' ' 150' ' ' TYR . 1.0 OUTLIER -69.31 -48.3 61.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.725 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.57 -42.32 96.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.857 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.35 -30.11 70.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.917 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.422 ' CZ ' ' HA ' ' A' ' 149' ' ' ASP . 65.8 t80 -59.9 -40.63 89.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.935 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 11.9 ttm180 -58.59 -40.58 83.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.868 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 3.1 mtt -56.63 -49.12 75.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.796 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -61.72 -27.81 68.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.902 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.29 154.78 30.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.909 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.89 -46.94 3.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.946 0.403 . . . . 0.0 110.923 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 25.6 p30 -91.83 -19.55 22.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.077 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 67.11 62.61 0.47 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.906 0.384 . . . . 0.0 111.078 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -110.49 -26.34 9.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.105 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 125.05 0.87 8.14 Favored Glycine 0 CA--C 1.519 0.318 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.783 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.433 ' CD2' ' HB3' ' A' ' 149' ' ' ASP . 6.0 m-85 -150.29 154.02 37.15 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.711 0.291 . . . . 0.0 110.746 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 6.0 mt -128.35 155.4 40.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.955 0.407 . . . . 0.0 111.11 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -134.64 179.07 6.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.853 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.68 -28.45 67.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.98 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -68.17 -60.98 2.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.838 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -61.26 -53.21 59.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.71 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 11.7 tp -49.21 -28.62 4.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.207 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 44.7 tttt -76.18 -29.64 57.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.9 179.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 22.4 mt -73.35 -51.14 26.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.203 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -56.71 -30.26 63.29 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.058 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 14.7 mt -67.37 -22.25 65.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.066 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 10.3 mm100 -61.32 -24.54 66.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.504 -0.317 . . . . 0.0 110.855 179.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -56.09 -47.44 78.03 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.961 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 16.6 p -62.55 174.88 0.88 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.59 179.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -114.03 21.48 15.63 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.594 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -107.76 124.77 50.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.876 0.369 . . . . 0.0 110.865 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 1.2 p -63.17 103.09 0.44 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.933 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 22.1 mm -95.05 159.03 2.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.142 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 9.0 t -117.75 165.95 13.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -64.83 -30.66 71.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.905 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -70.97 -31.25 67.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.816 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -68.64 -40.49 80.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.905 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 4.1 mt -73.77 -28.77 24.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.112 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.78 -41.58 86.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.853 0.359 . . . . 0.0 111.107 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.64 -28.62 64.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.079 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.93 -52.32 64.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.838 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 1.9 ttm -71.89 -25.8 62.08 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.046 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 7.6 tttt -53.11 -69.47 0.11 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.224 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 23.9 p-10 -68.66 -24.96 64.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.326 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -76.98 -5.07 84.36 Favored Glycine 0 CA--C 1.52 0.383 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.662 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 63.1 t0 -92.83 130.23 38.5 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.798 0.333 . . . . 0.0 110.849 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 13.6 mmmt -122.53 -31.74 3.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.293 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 30.4 m120 -97.1 20.32 11.51 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.115 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 7.4 p-10 42.7 32.02 0.35 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.72 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 19.9 p-10 -95.66 -26.52 15.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.602 179.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 98.44 19.26 23.56 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.882 -0.675 . . . . 0.0 112.633 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 11.4 mtt180 -139.93 -178.59 5.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.824 0.345 . . . . 0.0 110.733 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 25.4 mt -136.24 139.21 45.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.337 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . 0.433 ' HB3' ' CD2' ' A' ' 111' ' ' TYR . 3.0 p30 -137.13 167.33 21.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.777 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 150' ' ' TYR . . . . . 0.407 ' CZ ' ' HB2' ' A' ' 98' ' ' SER . 20.2 t80 -57.33 -27.92 62.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.373 -179.623 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.86 -60.28 2.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.806 0.336 . . . . 0.0 111.073 -179.774 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -77.12 -12.93 60.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.456 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 153' ' ' PHE . . . . . 0.425 ' CE2' HD21 ' A' ' 97' ' ' LEU . 17.9 t80 -73.27 -33.16 65.1 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.883 0.373 . . . . 0.0 110.787 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.78 -29.28 70.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.982 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -86.67 -29.73 22.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . 0.435 ' CE1' HG13 ' A' ' 160' ' ' VAL . 13.4 t80 -73.3 -41.82 63.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.845 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 157' ' ' MET . . . . . 0.4 ' HG3' ' CZ ' ' A' ' 153' ' ' PHE . 0.8 OUTLIER -81.14 -1.52 44.83 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.212 179.804 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 11.0 tttt -90.66 50.41 1.81 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.914 0.387 . . . . 0.0 110.67 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 104.31 89.99 2.14 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.3 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . 0.435 HG13 ' CE1' ' A' ' 156' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-O 120.758 0.313 . . . . 0.0 111.066 -179.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.829 0.347 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -56.07 -28.96 59.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.885 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -91.01 17.79 7.52 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.403 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 13.4 mt -64.99 -18.94 65.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.637 -0.256 . . . . 0.0 111.17 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.1 p -73.11 -33.55 65.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.819 0.342 . . . . 0.0 110.993 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -59.09 -42.11 89.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.819 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 11.3 mt -78.5 -17.32 56.41 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.175 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.424 ' CZ ' ' HA ' ' A' ' 149' ' ' ASP . 67.9 t80 -58.52 -43.97 89.37 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.812 0.339 . . . . 0.0 111.168 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.23 -31.01 69.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.837 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 13.3 mmm -63.69 -20.63 65.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.228 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -94.09 -21.95 18.8 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.157 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -79.63 146.95 32.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.016 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.03 -37.95 9.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.953 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 38.0 p-10 -107.13 -8.89 16.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.333 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 64.5 66.29 0.61 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.886 0.374 . . . . 0.0 111.107 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -111.4 -29.42 7.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.971 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 125.19 -3.65 8.34 Favored Glycine 0 CA--C 1.519 0.303 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.794 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.424 ' CD2' ' HB3' ' A' ' 149' ' ' ASP . 6.2 m-85 -147.22 152.58 38.6 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.722 0.296 . . . . 0.0 110.822 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 2.6 mt -127.51 152.1 35.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.117 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 23.7 p-10 -137.59 -173.64 3.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.961 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 6.6 tp -57.95 -35.02 70.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.993 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.84 -56.89 10.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.837 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.34 -45.26 84.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.913 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 25.5 tp -55.08 -29.25 57.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.02 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.41 -28.72 64.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.838 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 28.0 mm -71.18 -25.46 25.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.235 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 5.4 tmm? -82.21 -32.5 29.79 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.063 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -73.4 -30.61 63.38 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.16 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -69.57 -39.62 77.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.001 0.429 . . . . 0.0 110.524 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -52.03 -43.38 63.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.95 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.25 178.74 0.25 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.356 179.594 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -112.74 17.59 22.86 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.524 -0.846 . . . . 0.0 112.733 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -107.07 124.27 49.42 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.815 0.341 . . . . 0.0 110.865 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 81.5 p -65.21 104.14 0.88 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.292 -179.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 42.4 mm -105.89 158.0 6.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.828 179.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -101.68 158.2 16.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.902 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.19 -30.23 67.3 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.81 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -76.55 -27.83 56.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.063 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.16 -40.91 74.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.882 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 15.9 mt -69.49 -21.12 24.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.287 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -59.05 -35.72 73.81 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.882 0.372 . . . . 0.0 110.956 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -82.63 -19.51 38.14 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.207 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.69 -46.76 88.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.777 0.322 . . . . 0.0 110.981 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.9 -23.7 55.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.31 -179.823 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 20.9 mttt -55.99 -67.82 0.26 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.209 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 24.3 p-10 -57.5 -21.2 36.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.628 -179.696 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . 0.42 ' HA2' ' CG ' ' A' ' 156' ' ' PHE . . . -80.22 -44.24 9.0 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.528 -0.844 . . . . 0.0 112.271 179.798 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -68.39 127.27 32.35 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-O 120.801 0.334 . . . . 0.0 110.977 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 3.9 mmmp? -103.31 -18.87 14.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.173 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 23.8 p30 -102.11 -21.24 14.46 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.82 0.343 . . . . 0.0 110.888 179.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 1.5 t30 75.7 56.97 0.06 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.278 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -108.44 -32.52 7.39 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.122 179.087 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 118.16 13.85 6.84 Favored Glycine 0 N--CA 1.451 -0.307 0 CA-C-N 115.768 -0.651 . . . . 0.0 112.836 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 19.8 mtt85 -144.51 -170.82 3.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.871 0.367 . . . . 0.0 110.817 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . 0.462 HG21 HD11 ' A' ' 148' ' ' ILE . 33.4 mt -148.79 138.92 16.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.108 179.773 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . 0.424 ' HB3' ' CD2' ' A' ' 111' ' ' TYR . 51.1 p30 -134.22 170.71 15.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.814 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 41.2 t80 -59.89 -24.08 63.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.205 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -69.83 -63.22 1.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.916 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -70.55 -25.52 63.13 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.144 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -62.37 -30.65 71.34 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.761 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.23 -28.33 69.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.917 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -87.8 -31.98 19.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.007 0.432 . . . . 0.0 110.766 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . 0.44 ' CD1' HG13 ' A' ' 160' ' ' VAL . 14.3 t80 -65.35 -26.46 68.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.022 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -97.31 14.38 26.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.27 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.65 35.14 0.96 Allowed 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 116.548 -0.297 . . . . 0.0 111.277 -179.654 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 104.24 80.97 1.46 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.75 179.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . 0.44 HG13 ' CD1' ' A' ' 156' ' ' PHE . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-O 120.746 0.307 . . . . 0.0 111.16 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.708 0.289 . . . . 0.0 110.816 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -57.62 -26.74 62.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.932 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -91.37 18.18 7.5 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.427 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 20.4 mt -76.09 -25.47 55.53 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.106 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -67.12 -36.23 81.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.016 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.98 -40.19 78.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 4.7 mt -67.31 -27.55 67.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.009 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.428 ' CZ ' ' HA ' ' A' ' 149' ' ' ASP . 75.9 t80 -58.31 -43.34 88.09 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.02 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 7.9 mtt85 -57.82 -37.54 74.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.945 0.402 . . . . 0.0 111.029 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 4.3 mmt -62.87 -18.79 63.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.18 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -102.98 -25.39 13.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.054 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -96.5 93.26 6.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.898 0.38 . . . . 0.0 111.057 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 45.0 mmtm -55.57 -46.1 77.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.943 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -70.2 -30.98 68.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.989 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 62.45 53.83 2.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.161 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -110.91 -19.86 12.65 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.18 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 125.09 -10.42 7.82 Favored Glycine 0 C--N 1.331 0.269 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.785 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.418 ' CD2' ' HB3' ' A' ' 149' ' ' ASP . 1.8 m-85 -145.89 150.8 36.79 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.737 0.304 . . . . 0.0 110.774 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 1.3 mp -127.56 154.93 38.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.01 179.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 18.6 p30 -136.4 -176.65 4.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.902 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 3.7 mp -58.61 -28.24 65.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.09 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.17 -59.75 2.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.008 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.78 -54.88 32.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 4.3 tp -51.09 -27.53 8.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.251 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.91 -35.03 70.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.923 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 7.9 mt -68.76 -36.9 76.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.096 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 6.2 tmm? -60.38 -34.41 73.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.25 -30.95 63.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.89 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 58.9 mm-40 -60.15 -26.82 66.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.828 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -55.67 -44.53 77.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.075 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 16.3 p -69.01 169.07 12.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.639 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -112.2 23.81 15.48 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.551 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -108.14 126.27 52.58 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.789 0.328 . . . . 0.0 110.773 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 62.5 p -58.57 109.97 0.9 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.051 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 17.4 mm -104.42 157.71 5.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.076 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 2.2 p -106.2 158.28 16.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.832 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -59.66 -30.3 68.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -72.59 -31.58 65.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.95 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.36 -41.05 98.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 2.8 mt -68.93 -28.31 39.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.202 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -66.34 -41.63 89.32 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.978 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -72.4 -29.69 63.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.091 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.32 -49.09 79.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.981 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -77.91 -23.66 48.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.232 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 4.8 tttt -55.6 -67.89 0.25 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.199 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 28.1 p-10 -60.51 -18.38 51.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.56 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -84.65 -42.63 7.21 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.461 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -78.93 133.98 36.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.883 0.373 . . . . 0.0 110.988 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 46.0 mmtt -119.96 -4.19 10.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.308 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -96.65 -7.2 34.79 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.64 0.257 . . . . 0.0 111.314 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 28.9 t30 67.31 26.22 8.58 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.705 0.288 . . . . 0.0 111.251 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -98.03 -21.88 16.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.812 179.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 92.5 27.7 14.48 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.842 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 5.5 mtt180 -142.48 179.64 6.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.787 0.327 . . . . 0.0 111.096 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 44.4 mt -145.82 134.51 16.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.075 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . 0.428 ' HA ' ' CZ ' ' A' ' 101' ' ' PHE . 4.6 p30 -134.29 -171.46 2.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.79 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 23.5 t80 -54.75 -27.04 38.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.234 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -80.49 -47.21 14.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.938 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -72.7 -17.33 61.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.208 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 153' ' ' PHE . . . . . 0.435 ' CE1' ' CG ' ' A' ' 157' ' ' MET . 1.5 t80 -86.21 -33.36 20.78 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 120.892 0.377 . . . . 0.0 110.827 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 7.5 mp -75.84 -34.34 60.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.781 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -78.8 -41.3 30.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.675 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 37.5 t80 -68.72 -27.23 65.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.702 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 157' ' ' MET . . . . . 0.435 ' CG ' ' CE1' ' A' ' 153' ' ' PHE . 30.3 mmt -89.62 4.76 48.39 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.32 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 5.2 tttp -88.8 42.42 1.08 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.72 0.295 . . . . 0.0 111.271 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 103.98 75.49 1.05 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.453 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 2.4 t . . . . . 0 C--N 1.329 -0.287 0 CA-C-O 120.829 0.347 . . . . 0.0 111.025 -179.894 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.918 0.389 . . . . 0.0 110.621 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -79.44 -9.7 59.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.846 179.487 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -86.17 -24.79 26.01 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.193 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 96.0 mt -55.16 -23.55 22.09 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.333 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' SER . . . . . 0.408 ' HA ' ' CE1' ' A' ' 150' ' ' TYR . 44.6 p -68.64 -40.45 80.27 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.801 0.334 . . . . 0.0 111.029 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -70.16 -31.48 68.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.023 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.43 -29.95 67.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.068 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.425 ' CE1' ' HA ' ' A' ' 149' ' ' ASP . 74.8 t80 -58.31 -55.94 28.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.907 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -57.42 -31.59 66.03 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.772 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 5.9 mmt -63.87 -22.5 66.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.003 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -92.85 -23.19 18.9 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.983 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.32 140.98 40.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.864 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.59 -38.21 10.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.835 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 7.6 p-10 -111.92 -13.33 13.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.236 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 67.05 69.46 0.39 Allowed 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.814 0.34 . . . . 0.0 111.066 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -111.63 -2.93 15.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.498 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 102.25 -9.91 56.38 Favored Glycine 0 CA--C 1.519 0.296 0 C-N-CA 120.532 -0.842 . . . . 0.0 112.79 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.419 ' CD2' ' HB3' ' A' ' 149' ' ' ASP . 58.1 m-85 -147.64 155.27 41.61 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.744 0.306 . . . . 0.0 110.79 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 12.1 mt -127.84 151.36 34.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.913 0.387 . . . . 0.0 111.226 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -132.96 -176.53 4.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.881 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.92 -31.17 68.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.96 -59.93 2.89 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 18.1 mp0 -59.73 -45.27 92.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 59.7 tp -58.62 -30.39 67.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.006 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.95 -46.33 88.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 3.9 mt -69.02 -27.68 36.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.159 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 3.3 tmm? -63.69 -54.32 37.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.826 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 10.4 mp -63.94 -22.59 66.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.209 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -64.01 -24.47 67.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.76 0.314 . . . . 0.0 110.785 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -56.76 -47.0 81.1 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.999 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 30.2 p -58.74 174.88 0.3 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.572 179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -114.44 24.16 11.6 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.565 -0.826 . . . . 0.0 112.498 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -96.18 -169.37 1.91 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.838 0.351 . . . . 0.0 110.911 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 1.8 p -119.98 102.76 8.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.899 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 4.7 mt -112.72 145.39 18.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.161 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.85 160.32 14.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.813 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.26 -30.51 71.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.923 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -75.35 -31.15 60.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.85 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -64.86 -36.47 84.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 4.3 mt -73.05 -23.39 20.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.365 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.26 -47.66 83.39 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.975 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -66.65 -23.98 66.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.192 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.06 -54.13 48.62 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.915 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 9.1 ttm -73.66 -26.91 60.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.163 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 54.7 mttt -54.84 -67.89 0.23 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.26 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 29.1 p-10 -58.84 -20.06 47.18 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.465 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -83.58 -42.61 7.73 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.53 -0.843 . . . . 0.0 112.26 179.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 49.6 t0 -63.41 115.5 4.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.845 0.355 . . . . 0.0 110.901 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -108.51 -25.25 11.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.931 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -83.44 -17.9 40.51 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.96 179.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 71.1 31.46 2.47 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.144 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 45.0 p-10 -94.94 -28.58 15.1 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.332 179.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 111.9 16.13 9.46 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.991 -0.623 . . . . 0.0 112.921 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 2.9 ptt180 -149.25 -175.51 5.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.824 0.345 . . . . 0.0 110.998 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 44.0 mt -134.98 148.0 29.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.31 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . 0.425 ' HA ' ' CE1' ' A' ' 101' ' ' PHE . 2.5 p30 -140.64 168.22 20.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.678 179.703 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 150' ' ' TYR . . . . . 0.408 ' CE1' ' HA ' ' A' ' 98' ' ' SER . 28.4 t80 -60.39 -26.03 66.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.568 -179.561 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.7 -61.88 1.61 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.866 0.365 . . . . 0.0 110.992 -179.761 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -69.43 -26.55 64.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.212 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 25.0 t80 -57.94 -31.3 66.69 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.789 0.328 . . . . 0.0 110.879 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -65.69 -27.77 68.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.037 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -80.53 -38.98 28.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.874 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . 0.421 ' CE1' HG11 ' A' ' 160' ' ' VAL . 42.9 t80 -71.02 -11.22 60.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.167 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 4.4 mmt -103.86 5.8 36.08 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.603 -0.271 . . . . 0.0 111.422 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.59 42.9 1.12 Allowed 'General case' 0 CA--C 1.528 0.122 0 CA-C-O 120.826 0.346 . . . . 0.0 110.982 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 104.78 79.1 1.28 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.442 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . 0.421 HG11 ' CE1' ' A' ' 156' ' ' PHE . 2.7 t . . . . . 0 C--N 1.329 -0.287 0 CA-C-O 120.883 0.373 . . . . 0.0 111.159 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.941 0.401 . . . . 0.0 110.774 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -69.07 -28.56 66.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.978 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -74.59 -25.2 59.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.057 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 80.9 mt -52.87 -27.7 19.7 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.319 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.1 p -77.75 -41.48 37.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.904 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.68 -35.22 67.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 4.7 mt -73.66 -20.82 60.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.171 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -61.81 -47.15 86.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.969 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.03 -30.96 69.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.897 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.11 -21.94 66.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.067 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -92.23 -25.98 18.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.004 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.03 153.59 39.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.921 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.66 -41.95 7.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.924 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 13.7 p30 -104.4 -8.11 19.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.383 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 62.8 67.33 0.7 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.924 0.393 . . . . 0.0 111.112 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -111.37 -29.53 7.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.959 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 125.05 -0.47 8.3 Favored Glycine 0 CA--C 1.519 0.316 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.817 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.424 ' CD2' ' HB3' ' A' ' 149' ' ' ASP . 22.6 m-85 -147.32 153.79 40.14 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.773 0.321 . . . . 0.0 110.783 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 1.7 mt -127.67 149.79 32.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.957 0.408 . . . . 0.0 111.045 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 37.7 p30 -135.97 -175.23 3.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.917 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.12 -29.59 67.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.918 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.71 -60.49 2.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -60.76 -48.47 81.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.803 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 15.4 tp -54.27 -29.58 47.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.029 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 1.6 tttt -62.62 -36.51 82.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.794 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 3.9 mt -71.32 -39.07 71.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.938 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 2.8 tmm? -60.66 -31.9 71.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.936 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -75.66 -28.55 58.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.924 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -58.4 -25.04 61.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.805 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -55.16 -43.58 74.37 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.954 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 26.7 p -61.23 158.93 13.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.671 179.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -77.29 -51.37 6.15 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.564 -0.826 . . . . 0.0 112.309 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -53.66 172.79 0.06 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.996 0.427 . . . . 0.0 111.289 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 43.6 p -103.51 126.24 50.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.022 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 21.2 mm -101.89 161.04 3.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.928 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 3.8 t -114.99 163.87 14.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.954 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.81 -30.33 70.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.098 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -66.3 -46.45 76.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.041 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -59.18 -48.39 81.8 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.994 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 4.3 mt -63.97 -25.36 37.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.253 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -69.2 -35.68 76.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.07 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -82.73 -28.62 30.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.076 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 1.1 tp -56.63 -46.99 80.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.052 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 27.8 ttm -74.95 -18.54 60.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.281 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.25 -66.37 0.47 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.248 -179.737 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 27.1 p-10 -56.66 -21.09 24.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.664 -179.62 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -91.86 -25.89 21.2 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.568 -0.825 . . . . 0.0 112.489 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -77.95 93.39 4.42 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.82 0.343 . . . . 0.0 111.022 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 16.2 mmtt -91.47 -25.29 19.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.978 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -84.92 -18.72 33.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.105 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 7.5 t30 67.77 30.36 6.39 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.873 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 22.1 p-10 -101.94 14.76 31.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.181 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 65.98 21.66 69.85 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.698 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 46.1 mtt180 -157.06 159.68 38.18 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.895 0.379 . . . . 0.0 110.994 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 21.2 mt -117.93 144.7 25.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.14 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . 0.424 ' HB3' ' CD2' ' A' ' 111' ' ' TYR . 2.2 p30 -134.24 167.74 20.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.738 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 150' ' ' TYR . . . . . 0.444 ' O ' ' HG ' ' A' ' 154' ' ' LEU . 63.4 t80 -59.92 -26.43 65.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.37 -179.732 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.81 -62.05 1.54 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.811 0.339 . . . . 0.0 111.212 -179.686 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -69.34 -22.12 63.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.021 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 153' ' ' PHE . . . . . 0.454 ' CZ ' ' CG ' ' A' ' 157' ' ' MET . 19.4 t80 -66.54 -30.89 71.31 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.793 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' A' ' 150' ' ' TYR . 11.7 mt -57.75 -30.17 65.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.047 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -86.75 -28.38 23.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.999 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . 0.403 ' CE1' HG11 ' A' ' 160' ' ' VAL . 17.9 t80 -76.45 -36.19 58.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.827 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 157' ' ' MET . . . . . 0.454 ' CG ' ' CZ ' ' A' ' 153' ' ' PHE . 0.0 OUTLIER -82.47 -2.07 52.22 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.367 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 5.9 tttt -89.6 49.96 1.83 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.821 0.344 . . . . 0.0 110.994 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 103.99 76.93 1.14 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.377 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . 0.403 HG11 ' CE1' ' A' ' 156' ' ' PHE . 4.4 t . . . . . 0 C--N 1.329 -0.324 0 CA-C-O 120.847 0.356 . . . . 0.0 110.947 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.952 0.406 . . . . 0.0 110.583 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -60.44 -23.4 64.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.659 179.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.86 -14.92 60.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.276 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 55.4 mt -52.42 -24.04 7.11 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.565 -179.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.5 t -62.29 -46.12 90.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.855 0.359 . . . . 0.0 110.87 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -63.98 -31.98 73.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.82 -27.68 62.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.006 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.417 ' CZ ' ' HA ' ' A' ' 149' ' ' ASP . 47.6 t80 -59.97 -54.27 48.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.054 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 1.2 mtp85 -56.59 -35.11 67.86 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.806 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 18.0 mmm -59.75 -23.26 63.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.958 179.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -94.11 -20.33 20.0 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.039 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -84.5 149.07 26.18 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.793 0.33 . . . . 0.0 110.888 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.4 mmtm -99.31 -33.81 10.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.873 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 12.2 p-10 -106.86 -18.32 13.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.191 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 66.82 63.6 0.48 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.856 0.36 . . . . 0.0 111.049 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -108.7 -25.81 10.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.932 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 125.21 -8.14 8.0 Favored Glycine 0 CA--C 1.518 0.268 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.781 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.421 ' CD2' ' HB3' ' A' ' 149' ' ' ASP . 13.9 m-85 -143.21 145.96 33.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.831 0.348 . . . . 0.0 110.781 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 4.6 mt -128.29 158.1 40.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.147 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -138.88 -176.87 4.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.848 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 5.5 tt -62.01 -27.65 69.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.03 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -67.4 -59.26 3.54 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.88 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -62.86 -49.95 72.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.954 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 22.3 tp -52.57 -24.76 8.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.359 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.408 ' HA ' HD22 ' A' ' 121' ' ' LEU . 9.7 tttp -76.23 -25.54 55.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.995 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.406 HD13 HG21 ' A' ' 119' ' ' ILE . 30.4 mt -76.26 -33.55 24.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.749 -179.488 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -82.59 -35.98 26.6 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 111.692 0.256 . . . . 0.0 111.692 -179.314 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.408 HD22 ' HA ' ' A' ' 118' ' ' LYS . 4.6 pp -76.8 -33.15 58.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.543 0.211 . . . . 0.0 111.465 -179.51 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -63.18 -41.04 99.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.072 0.463 . . . . 0.0 110.525 179.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -48.5 -31.8 6.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.242 179.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 26.2 p -56.79 -176.71 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.57 179.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -114.32 17.97 18.59 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.667 -0.777 . . . . 0.0 112.64 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -101.56 -169.02 1.63 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.696 0.284 . . . . 0.0 110.791 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 68.2 p -119.76 108.96 15.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.817 0.342 . . . . 0.0 110.944 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 21.5 mm -104.71 141.13 20.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.039 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 67.8 p -105.05 154.72 19.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.938 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -58.94 -30.9 68.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.847 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -75.1 -32.88 61.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.897 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -67.54 -42.73 82.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.029 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 19.0 mt -66.29 -26.37 37.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.365 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -72.05 -31.18 65.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -80.56 -30.49 37.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.999 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.2 -49.07 79.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.986 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 45.8 mmm -75.4 -23.02 57.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.159 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 4.4 tptt -56.79 -67.06 0.34 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.785 0.326 . . . . 0.0 111.112 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 29.1 p-10 -59.8 -19.25 49.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.627 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -86.94 -37.9 8.23 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.469 -0.872 . . . . 0.0 112.294 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -67.55 97.27 0.58 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.857 0.361 . . . . 0.0 110.926 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 6.8 mmtm -81.92 -23.9 35.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.962 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 19.0 p-10 -104.45 -7.95 19.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.156 179.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 10.5 m120 62.46 39.11 12.19 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-O 120.758 0.313 . . . . 0.0 111.162 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 50.0 p-10 -97.07 13.92 27.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.231 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 68.66 23.6 75.47 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.778 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 8.2 mtm-85 -157.19 -171.11 3.49 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.801 0.334 . . . . 0.0 111.039 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . 0.478 HD12 HG22 ' A' ' 148' ' ' ILE . 47.1 mt -148.68 141.81 18.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.857 179.82 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . 0.421 ' HB3' ' CD2' ' A' ' 111' ' ' TYR . 4.5 p30 -134.44 169.91 16.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.005 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 150' ' ' TYR . . . . . 0.416 ' CE1' HD23 ' A' ' 154' ' ' LEU . 48.7 t80 -60.03 -24.29 64.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.298 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.62 -61.08 1.97 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.93 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -74.08 -22.81 59.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.182 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 27.8 t80 -63.51 -35.09 79.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.814 0.34 . . . . 0.0 110.93 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . 0.416 HD23 ' CE1' ' A' ' 150' ' ' TYR . 2.9 mm? -64.54 -24.73 67.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.109 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -87.92 -36.09 17.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.879 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . 0.431 ' CD1' HG13 ' A' ' 160' ' ' VAL . 14.5 t80 -58.99 -34.95 72.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.8 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.44 15.63 17.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.092 179.721 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 8.0 tttp -92.03 34.25 1.02 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.269 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 100.21 80.46 1.52 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.563 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . 0.431 HG13 ' CD1' ' A' ' 156' ' ' PHE . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.328 0 CA-C-O 120.834 0.35 . . . . 0.0 111.192 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.842 0.353 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -60.33 -30.06 69.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.058 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -91.07 20.63 4.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.475 -179.814 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 14.3 mt -75.68 -30.7 59.47 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.811 0.339 . . . . 0.0 110.9 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 42.6 t -60.5 -31.96 70.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.0 -35.78 72.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.949 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 14.7 mt -67.36 -29.12 68.58 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.945 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -58.65 -50.78 72.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.964 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 25.1 mtt180 -59.44 -31.5 69.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.949 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -67.27 -20.5 65.65 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.067 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -91.28 -27.87 18.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.721 0.296 . . . . 0.0 110.972 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.46 152.3 39.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.877 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 2.8 tptt -95.92 -40.05 9.49 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.013 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 12.2 p-10 -120.15 3.14 10.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.554 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 58.07 73.67 0.46 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.911 0.386 . . . . 0.0 111.1 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -111.7 -12.15 13.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.346 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 108.83 -8.82 34.17 Favored Glycine 0 C--N 1.332 0.324 0 C-N-CA 120.615 -0.802 . . . . 0.0 112.726 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.413 ' CD2' ' HB3' ' A' ' 149' ' ' ASP . 19.4 m-85 -151.09 156.51 41.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.798 0.332 . . . . 0.0 110.593 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 15.9 mt -128.12 155.81 39.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.188 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -139.05 -169.15 2.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.971 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -64.63 -38.43 90.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.11 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -61.24 -53.1 61.18 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.991 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -64.95 -55.79 17.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.915 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 27.2 tp -51.64 -27.9 12.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.254 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 16.6 tttm -72.22 -35.16 68.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.943 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 19.5 mt -74.93 -32.12 26.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.15 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 6.6 tmm? -67.67 -39.79 84.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.99 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -71.84 -19.92 61.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.229 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -65.3 -25.77 67.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.699 0.285 . . . . 0.0 110.828 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -56.26 -46.08 79.82 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.076 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 16.0 p -56.61 175.13 0.12 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.776 179.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -114.15 21.36 15.5 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.627 -0.797 . . . . 0.0 112.574 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -108.07 128.85 55.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.819 0.343 . . . . 0.0 110.754 -179.771 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 49.3 p -63.78 98.54 0.2 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.082 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 27.9 mm -99.08 160.23 3.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.87 179.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -109.33 155.38 21.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.851 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -59.17 -29.81 67.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.909 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -72.46 -31.47 65.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.928 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.81 -46.79 74.11 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.967 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 5.0 mt -62.84 -19.36 23.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.438 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -72.14 -30.21 64.8 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.799 0.333 . . . . 0.0 110.983 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -65.31 -37.37 86.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.846 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 1.3 mt -59.65 -49.22 78.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.826 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -67.31 -28.02 67.65 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.966 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -58.0 -71.46 0.11 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.091 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . 0.404 ' OD1' ' N ' ' A' ' 140' ' ' GLY . 30.1 p-10 -60.1 -22.12 62.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.427 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . 0.404 ' N ' ' OD1' ' A' ' 139' ' ' ASP . . . -78.23 -24.9 62.63 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.386 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 29.8 t0 -87.14 132.4 33.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.788 0.328 . . . . 0.0 110.896 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 3.1 mmtm -109.11 -26.14 10.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.024 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 20.1 p-10 -106.9 1.66 24.78 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.286 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 3.2 t30 61.85 20.73 11.7 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.284 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 20.9 p-10 -63.71 -39.61 94.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.991 0.424 . . . . 0.0 110.279 179.428 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 114.23 19.12 6.41 Favored Glycine 0 CA--C 1.518 0.243 0 C-N-CA 120.856 -0.687 . . . . 0.0 112.576 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 9.3 mtt-85 -154.23 172.47 17.57 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.811 0.338 . . . . 0.0 110.792 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 27.8 mm -126.55 141.13 46.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.134 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . 0.413 ' HB3' ' CD2' ' A' ' 111' ' ' TYR . 2.1 p30 -134.4 -176.13 4.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.021 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -66.02 -29.7 70.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.291 -179.654 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -77.94 -44.94 25.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.812 0.339 . . . . 0.0 111.001 -179.841 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -76.57 -12.98 60.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.444 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -81.69 -47.13 13.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.77 0.319 . . . . 0.0 111.054 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -55.29 -27.38 46.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.073 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -83.98 -31.26 25.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.013 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . 0.428 ' CE1' HG13 ' A' ' 160' ' ' VAL . 9.4 t80 -68.61 -35.81 77.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.109 -179.808 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.23 7.59 27.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.208 179.773 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 32.8 tttm -89.94 41.35 1.04 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.729 0.3 . . . . 0.0 111.243 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 104.81 87.31 1.99 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.78 179.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . 0.428 HG13 ' CE1' ' A' ' 156' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.274 0 CA-C-O 120.908 0.385 . . . . 0.0 111.04 179.801 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.884 0.374 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -77.56 -13.28 59.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.948 179.663 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -84.41 -26.25 28.45 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.102 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 10.3 mt -67.72 -12.51 60.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.669 -179.674 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 96.8 p -71.46 -39.76 70.75 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.801 0.334 . . . . 0.0 111.002 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -75.66 -31.03 59.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.964 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 3.4 mt -68.83 -28.42 66.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.992 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.422 ' CZ ' ' HA ' ' A' ' 149' ' ' ASP . 77.2 t80 -59.83 -56.6 19.81 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.034 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.76 -31.42 64.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.859 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 65.4 mmm -64.5 -21.39 66.66 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.097 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -96.71 -24.58 15.89 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.97 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -79.4 153.06 29.99 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.996 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 5.2 mmtt -115.17 -50.91 2.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.846 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 30.6 m120 -75.05 -22.63 58.27 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.012 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 66.41 49.4 1.41 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.792 0.33 . . . . 0.0 111.024 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -101.14 -30.09 11.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.958 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 123.3 3.55 8.7 Favored Glycine 0 CA--C 1.519 0.303 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.918 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 26.6 m-85 -144.9 150.18 36.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.767 0.317 . . . . 0.0 110.819 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 17.2 mt -128.83 156.25 41.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.99 0.424 . . . . 0.0 111.19 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 24.5 p-10 -147.02 -177.01 5.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.966 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.1 -35.41 75.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.84 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -60.35 -52.04 66.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.845 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -72.96 -45.48 57.77 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.145 -179.659 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 11.4 tp -54.77 -42.07 71.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.504 -179.487 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.34 -26.18 68.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.318 -179.572 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 25.6 mt -74.66 -53.34 16.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.734 0.302 . . . . 0.0 111.138 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 7.6 ptm -57.66 -30.99 65.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.995 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 4.8 mp -68.2 -30.24 69.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.738 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -63.25 -23.95 67.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.728 179.636 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -57.18 -43.84 83.01 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.958 179.694 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 48.5 p -65.0 178.9 0.75 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.44 179.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -114.5 25.27 10.52 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.447 179.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -96.45 -174.46 3.05 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.851 0.358 . . . . 0.0 110.982 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 31.0 p -119.94 100.54 7.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.834 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 18.6 mt -112.85 147.68 16.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.155 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 1.8 t -112.8 163.87 14.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.775 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.68 -51.94 67.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.141 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.88 -26.95 27.36 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.179 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.94 -50.53 22.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.789 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 7.1 mt -62.02 -18.43 19.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.357 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -63.14 -53.62 50.6 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.853 0.359 . . . . 0.0 110.967 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -64.67 -22.06 66.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.251 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 5.4 mt -63.16 -56.55 15.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.921 0.391 . . . . 0.0 110.888 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 37.0 mmm -74.46 -21.75 59.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.086 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 17.7 mttt -46.93 -61.39 1.89 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.497 -179.733 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . 0.44 ' OD2' ' CE1' ' A' ' 156' ' ' PHE . 0.0 OUTLIER -62.22 -37.26 84.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.78 0.324 . . . . 0.0 110.36 -179.777 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . 0.467 ' CA ' ' CD2' ' A' ' 156' ' ' PHE . . . -66.11 -26.73 72.51 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.541 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 52.6 t0 -73.31 107.9 5.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.9 0.381 . . . . 0.0 110.982 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 13.7 mmtp -106.27 -31.8 8.47 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.745 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 13.6 p-10 -91.59 -1.44 57.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.222 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 61.52 28.01 17.39 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.316 179.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 42.3 p-10 -89.92 -27.39 19.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.944 0.402 . . . . 0.0 110.774 179.659 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 98.22 28.31 8.2 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.554 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 57.3 mtt180 -148.17 -176.48 5.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.788 0.327 . . . . 0.0 111.025 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 30.7 mm -144.86 142.36 23.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.991 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . 0.422 ' HA ' ' CZ ' ' A' ' 101' ' ' PHE . 21.9 p30 -134.46 -175.71 3.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.847 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 150' ' ' TYR . . . . . 0.407 ' CE1' HD21 ' A' ' 154' ' ' LEU . 67.3 t80 -57.78 -24.34 56.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.233 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 46.7 m-20 -81.24 -45.76 15.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.931 0.396 . . . . 0.0 110.872 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -71.21 -28.5 64.25 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.048 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -72.39 -39.04 68.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.886 0.374 . . . . 0.0 110.958 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . 0.407 HD21 ' CE1' ' A' ' 150' ' ' TYR . 1.3 mm? -58.78 -29.49 66.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.946 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -88.74 -33.11 17.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.932 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . 0.467 ' CD2' ' CA ' ' A' ' 140' ' ' GLY . 1.0 OUTLIER -59.38 -40.5 86.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.831 -179.895 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.12 13.03 20.13 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.09 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 6.4 ttpp -92.23 36.05 0.99 Allowed 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.247 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 99.08 79.17 1.44 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.655 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-O 120.771 0.32 . . . . 0.0 111.075 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.945 0.402 . . . . 0.0 110.62 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -63.52 -21.74 66.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.708 179.547 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -77.31 -18.65 57.32 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.188 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 61.4 mt -55.73 -21.47 18.88 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.627 -179.679 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.8 t -62.3 -45.08 94.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.836 0.35 . . . . 0.0 110.845 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -63.27 -45.27 92.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.966 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.77 -26.06 63.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.203 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.423 ' CZ ' ' HA ' ' A' ' 149' ' ' ASP . 53.8 t80 -57.88 -53.33 59.44 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.064 -179.829 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -56.93 -34.62 68.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.961 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 3.9 mmt -61.54 -50.77 71.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.791 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -62.98 -25.27 68.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.095 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -80.51 151.26 29.3 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.921 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.06 -44.57 3.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.88 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 39.0 p30 -89.64 -19.21 25.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.193 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 67.64 40.54 2.5 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.043 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 34.4 p-10 -86.32 -15.49 40.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.263 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 112.35 -2.44 26.59 Favored Glycine 0 CA--C 1.518 0.231 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.797 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -150.18 160.74 43.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.8 0.333 . . . . 0.0 110.898 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 13.6 mt -126.96 145.88 33.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.656 179.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -131.7 -177.52 4.46 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.971 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -53.02 -34.29 55.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.147 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.36 -56.0 8.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.926 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.31 -45.73 89.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 16.6 tp -55.26 -39.48 69.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.161 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.25 -26.98 66.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.98 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 29.0 mm -66.6 -38.17 81.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.996 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 8.2 tmm? -70.0 -41.17 74.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.945 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.85 -31.29 69.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.986 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 5.7 mm-40 -65.05 -27.14 68.59 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.7 179.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -57.06 -43.95 82.53 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.03 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 57.3 p -61.42 174.54 0.71 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.624 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -114.19 27.11 9.26 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.472 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -99.2 -168.97 1.69 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.846 0.355 . . . . 0.0 110.827 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 17.6 p -119.43 109.3 15.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 3.6 mp -112.22 141.77 26.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.191 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 15.9 p -97.62 161.98 13.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.894 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -59.73 -33.95 72.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.946 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -73.11 -31.04 64.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.836 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.53 -40.52 93.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.871 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 25.6 mm -67.3 -24.25 31.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.37 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -76.04 -30.22 58.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.035 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -67.93 -26.73 66.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.167 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 5.4 mt -68.13 -60.8 2.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.966 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 2.8 mmt -60.9 -28.0 68.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.023 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.62 -69.81 0.12 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.203 -179.795 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 29.3 p-10 -69.53 -20.84 63.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.604 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -73.17 -48.56 19.18 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.587 -0.816 . . . . 0.0 112.377 179.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -68.87 147.98 50.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.872 0.368 . . . . 0.0 111.032 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 25.5 mmtt -115.48 -13.41 11.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.403 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -113.86 9.94 17.64 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 116.693 -0.231 . . . . 0.0 111.385 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 55.56 26.9 9.63 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.73 0.3 . . . . 0.0 111.162 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -82.73 -30.2 29.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.801 179.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 99.84 27.5 7.88 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.748 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 3.9 mtt180 -144.08 179.01 7.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.806 0.336 . . . . 0.0 110.957 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 37.9 mm -146.09 144.21 20.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.907 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . 0.423 ' HA ' ' CZ ' ' A' ' 101' ' ' PHE . 3.1 p30 -138.01 -179.09 5.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 28.0 t80 -58.69 -26.58 64.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.092 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.49 -50.36 11.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.623 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -68.48 -27.4 66.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.954 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 153' ' ' PHE . . . . . 0.41 ' CE1' ' HG3' ' A' ' 157' ' ' MET . 12.6 t80 -71.24 -47.31 57.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.924 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.16 -31.78 69.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.851 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -81.51 -42.9 19.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.779 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -68.93 -29.61 67.9 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.917 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 157' ' ' MET . . . . . 0.41 ' HG3' ' CE1' ' A' ' 153' ' ' PHE . 10.7 mmt -89.71 3.87 51.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.319 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 3.4 tttp -91.05 45.11 1.23 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.852 0.358 . . . . 0.0 111.01 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 103.86 71.02 0.84 Allowed Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.34 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 5.3 t . . . . . 0 C--N 1.328 -0.335 0 CA-C-O 120.82 0.343 . . . . 0.0 111.002 -179.74 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.752 0.31 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -58.57 -27.74 64.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.074 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -87.71 -0.8 57.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.645 -179.815 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.419 ' HB3' ' CE2' ' A' ' 153' ' ' PHE . 26.0 mt -58.01 -26.15 62.03 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.722 0.296 . . . . 0.0 111.215 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 21.7 p -57.2 -30.12 64.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.837 0.351 . . . . 0.0 111.159 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -73.12 -34.74 66.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.022 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.412 ' O ' ' HG3' ' A' ' 103' ' ' MET . 10.0 mt -69.47 -22.78 63.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.139 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -73.8 -42.35 61.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.403 -179.407 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.92 -53.0 63.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.881 0.372 . . . . 0.0 111.202 -179.489 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' MET . . . . . 0.412 ' HG3' ' O ' ' A' ' 100' ' ' LEU . 0.0 OUTLIER -56.98 -43.58 81.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 -179.9 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -62.77 -32.82 74.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -85.12 93.08 8.55 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.78 179.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 6.7 tptt -54.76 -47.05 74.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.942 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -74.39 -29.94 61.74 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 60.45 51.6 5.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.152 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -111.7 4.28 18.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.388 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 103.37 -15.58 53.74 Favored Glycine 0 C--N 1.332 0.351 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.757 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.411 ' CD2' ' HB3' ' A' ' 149' ' ' ASP . 13.3 m-85 -142.21 149.19 39.33 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.749 0.309 . . . . 0.0 110.838 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 25.7 mt -127.84 154.23 38.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.109 179.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 13.4 p-10 -135.45 -175.52 3.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.024 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 1.8 tp -59.24 -34.48 72.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.103 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.39 -53.85 51.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.81 -46.68 68.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.754 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 18.8 tp -55.72 -30.35 61.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.021 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.7 -30.73 70.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.949 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 20.7 mt -74.01 -36.59 45.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.121 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 3.6 tmm? -61.73 -39.05 90.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.873 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -72.65 -29.47 63.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.05 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 10.3 mm-40 -61.16 -25.4 66.98 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.894 179.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -56.69 -46.31 81.25 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.102 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 16.1 p -65.24 175.28 1.71 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.627 179.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -114.04 27.51 9.06 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.413 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -101.15 -173.71 2.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.749 0.309 . . . . 0.0 110.837 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 32.9 p -119.64 108.33 14.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.853 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 3.1 mp -112.41 143.19 22.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.094 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 63.9 p -90.98 155.94 18.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.935 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -66.53 -30.25 70.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.805 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.62 -31.86 60.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.95 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.52 -34.43 75.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.917 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 18.5 mt -72.09 -20.49 20.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.251 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -67.93 -28.5 67.54 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.92 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -73.64 -26.29 60.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.054 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.48 -46.48 89.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.853 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.67 -28.68 64.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.023 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -53.76 -66.9 0.31 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.151 -179.762 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . 0.416 ' OD1' ' N ' ' A' ' 140' ' ' GLY . 17.0 p-10 -68.17 -34.24 75.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.337 -179.806 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . 0.416 ' N ' ' OD1' ' A' ' 139' ' ' ASP . . . -66.81 -36.75 91.62 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.619 -0.801 . . . . 0.0 112.173 179.697 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 55.7 t0 -73.7 130.52 40.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.957 0.408 . . . . 0.0 110.88 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . 0.408 ' HD2' ' N ' ' A' ' 142' ' ' LYS . 0.0 OUTLIER -111.64 -24.67 9.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.081 -179.825 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 23.1 p-10 -105.82 5.53 30.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.265 179.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 19.2 m-20 58.49 29.2 18.01 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.731 0.3 . . . . 0.0 111.108 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 37.7 p-10 -84.8 -0.35 53.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.408 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 72.81 24.12 76.64 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.569 -0.824 . . . . 0.0 112.693 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 15.9 mtt180 -152.9 -169.06 3.22 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.749 0.309 . . . . 0.0 110.85 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . 0.429 HG21 HD11 ' A' ' 148' ' ' ILE . 33.1 mt -148.26 138.25 16.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.245 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . 0.411 ' HB3' ' CD2' ' A' ' 111' ' ' TYR . 9.0 p-10 -134.06 -177.05 4.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.787 179.779 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 66.3 t80 -64.46 -27.09 68.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.58 -179.486 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -67.21 -61.46 1.91 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.786 0.327 . . . . 0.0 110.986 -179.647 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -76.46 -6.64 52.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.549 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 153' ' ' PHE . . . . . 0.419 ' CE2' ' HB3' ' A' ' 97' ' ' LEU . 16.9 t80 -76.33 -48.52 19.71 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-O 120.786 0.327 . . . . 0.0 110.498 179.703 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.25 -28.99 67.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -83.97 -37.55 22.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.799 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . 0.414 ' CG ' ' HA2' ' A' ' 140' ' ' GLY . 12.5 t80 -66.83 -36.85 83.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.763 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.24 6.72 31.81 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.103 179.721 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -91.02 43.31 1.14 Allowed 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.824 0.345 . . . . 0.0 111.094 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 105.0 87.73 2.01 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.671 179.693 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.335 0 CA-C-O 120.812 0.339 . . . . 0.0 111.067 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 . . . . . 0 CA--C 1.529 0.162 0 CA-C-O 120.828 0.347 . . . . 0.0 110.807 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.14 -29.09 65.92 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.174 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.58 -19.08 50.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.302 -179.832 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 10.9 mt -52.51 -26.71 13.79 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.811 0.339 . . . . 0.0 111.218 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.4 t -71.12 -39.37 72.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.922 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 57.2 m-20 -60.46 -45.88 92.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.903 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.4 -24.75 67.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.064 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.437 ' CE2' ' HA ' ' A' ' 149' ' ' ASP . 55.1 t80 -58.62 -54.26 49.01 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.852 0.358 . . . . 0.0 111.198 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.78 -33.0 66.2 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.892 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 87.1 mtp -62.64 -20.75 65.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.95 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -89.87 -22.11 22.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.1 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -79.21 149.86 31.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.842 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.54 -36.82 8.65 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.92 -179.853 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 9.2 p-10 -120.0 6.31 10.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.56 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 56.1 75.34 0.34 Allowed 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.797 0.332 . . . . 0.0 111.176 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 16.6 p-10 -111.85 -19.53 12.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.237 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 112.17 -7.61 27.01 Favored Glycine 0 CA--C 1.519 0.299 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.708 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.41 ' CD2' ' HB3' ' A' ' 149' ' ' ASP . 19.5 m-85 -149.32 158.86 44.53 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.731 0.301 . . . . 0.0 110.548 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 4.1 mt -127.06 146.98 32.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.98 0.419 . . . . 0.0 111.081 179.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -136.29 -177.41 4.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.981 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 1.5 mt -58.28 -30.92 66.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.963 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.64 -55.72 21.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.001 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -69.79 -46.38 65.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.865 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 11.7 tp -52.75 -28.53 22.62 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.158 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 5.3 tttt -75.98 -30.25 58.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.841 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 44.9 mt -69.64 -42.82 80.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.135 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 5.4 ptm -68.84 -31.15 69.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.862 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.03 -30.0 70.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.796 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 10.0 mm100 -56.76 -23.43 42.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.759 179.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -55.55 -41.91 73.91 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.025 179.697 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 29.8 p -59.4 158.46 9.43 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.682 179.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -78.39 -51.54 5.6 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.555 -0.831 . . . . 0.0 112.302 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.79 -179.67 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.868 0.366 . . . . 0.0 111.228 -179.792 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 81.6 p -111.12 124.62 52.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.95 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 3.5 mp -97.22 161.11 2.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.001 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 4.3 m -107.13 158.45 17.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.851 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.71 -29.42 68.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.838 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -78.34 -29.1 47.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.998 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -70.57 -33.1 70.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.998 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 21.7 mt -76.64 -14.82 14.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.478 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.54 -56.19 10.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.904 0.383 . . . . 0.0 111.055 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -57.63 -22.2 44.01 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.273 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.62 -50.3 74.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.845 0.355 . . . . 0.0 111.047 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.38 -16.52 60.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.372 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 1.4 tmtt? -56.04 -73.08 0.06 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.799 0.333 . . . . 0.0 111.195 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 25.7 p-10 -57.29 -22.82 44.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.539 -179.669 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -85.75 -22.7 49.06 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.612 -0.804 . . . . 0.0 112.624 179.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -84.23 132.44 34.65 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.82 0.343 . . . . 0.0 110.988 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -116.38 -20.22 9.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.35 -179.844 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 20.3 p-10 -107.15 1.55 24.2 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-O 120.691 0.282 . . . . 0.0 111.443 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 18.0 m-20 61.37 28.92 18.26 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.736 0.303 . . . . 0.0 111.138 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 40.0 p-10 -85.94 -30.59 22.68 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.039 0.447 . . . . 0.0 110.555 179.692 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 104.01 20.66 10.3 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.566 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 17.3 mtt85 -142.83 -174.22 4.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.931 0.396 . . . . 0.0 110.656 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 39.5 mt -145.2 138.44 21.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.055 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . 0.437 ' HA ' ' CE2' ' A' ' 101' ' ' PHE . 4.7 p30 -134.14 169.43 17.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.76 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -58.33 -26.61 63.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.544 -179.593 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.76 -61.55 1.74 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.751 0.31 . . . . 0.0 111.168 -179.62 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -73.57 -15.38 61.29 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.517 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -70.82 -32.43 69.49 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.833 0.349 . . . . 0.0 110.873 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -66.5 -26.32 67.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.008 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -85.35 -33.28 22.08 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.8 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . 0.414 ' CD1' HG13 ' A' ' 160' ' ' VAL . 11.4 t80 -61.83 -26.81 68.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.817 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -97.59 16.76 19.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.151 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -91.59 32.53 1.08 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.407 -179.717 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 102.21 75.38 1.1 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.594 -0.812 . . . . 0.0 112.699 179.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . 0.414 HG13 ' CD1' ' A' ' 156' ' ' PHE . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-O 120.858 0.361 . . . . 0.0 111.138 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 . . . . . 0 C--O 1.23 0.047 0 CA-C-O 120.678 0.275 . . . . 0.0 111.365 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -53.6 -28.69 33.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.101 -179.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -91.44 23.7 3.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.252 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 9.7 mt -61.2 -24.28 66.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.697 0.284 . . . . 0.0 111.12 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.9 -32.7 71.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.881 0.372 . . . . 0.0 110.906 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -75.67 -25.1 56.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.049 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.418 ' O ' ' CG ' ' A' ' 103' ' ' MET . 0.7 OUTLIER -84.28 -14.63 49.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.44 -179.773 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.421 ' CE2' ' HA ' ' A' ' 149' ' ' ASP . 38.5 t80 -74.47 -33.69 62.94 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 111.855 0.317 . . . . 0.0 111.855 -179.155 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.89 -46.34 89.64 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 111.822 0.305 . . . . 0.0 111.822 -179.061 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' MET . . . . . 0.418 ' CG ' ' O ' ' A' ' 100' ' ' LEU . 4.4 ptp -54.52 -43.39 71.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.86 0.362 . . . . 0.0 111.022 -179.643 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -58.83 -30.62 67.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.835 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -78.92 150.42 32.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.814 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 2.9 tptp -95.45 -39.9 9.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.975 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 21.4 p30 -120.03 12.71 12.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.382 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 53.51 74.52 0.31 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.812 0.339 . . . . 0.0 111.236 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -111.5 -24.93 9.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.133 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 113.65 -3.47 24.66 Favored Glycine 0 CA--C 1.518 0.227 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.844 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.43 ' CD2' ' HB3' ' A' ' 149' ' ' ASP . 32.6 m-85 -147.42 153.53 39.71 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.733 0.301 . . . . 0.0 110.653 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.404 HD13 ' CZ ' ' A' ' 101' ' ' PHE . 2.0 mt -127.68 151.1 34.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.9 0.381 . . . . 0.0 111.232 179.826 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -143.18 -177.32 5.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.8 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -58.08 -22.83 52.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.172 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 58.9 mt-10 -67.26 -59.02 3.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.771 0.32 . . . . 0.0 111.046 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -71.98 -37.18 69.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.959 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 10.9 tp -56.02 -41.83 75.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.248 -179.743 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.0 -28.27 67.28 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.14 -179.759 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 21.6 mt -74.87 -52.06 20.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.173 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 7.2 ptm -59.45 -32.68 70.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.008 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -67.75 -28.28 67.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.032 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -66.02 -25.64 67.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.702 179.718 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -57.98 -46.78 84.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.981 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 44.7 p -57.98 171.83 0.48 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.648 179.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -114.82 19.36 15.94 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.541 179.675 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -91.29 -168.46 2.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.77 0.319 . . . . 0.0 110.985 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 77.2 p -119.82 97.56 5.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.821 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 3.0 mp -112.14 145.02 18.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.166 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 1.3 t -102.78 162.95 12.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.868 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.3 -29.65 70.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.945 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.27 -30.42 60.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.001 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -66.68 -48.74 68.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.007 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 5.2 mt -60.95 -24.66 33.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.238 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.55 -29.59 62.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.904 0.383 . . . . 0.0 111.001 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -77.37 -31.21 54.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.95 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.73 -45.39 89.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.986 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 1.8 mtp -71.3 -20.95 62.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.148 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.61 -70.23 0.1 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.148 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 23.3 p-10 -63.84 -25.97 68.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.315 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -78.09 -18.44 76.62 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.576 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 29.6 t0 -98.72 85.19 3.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.824 0.345 . . . . 0.0 110.997 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 6.6 mmtt -81.95 -20.58 38.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.091 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -91.77 -21.08 20.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.945 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 71.41 33.04 1.99 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.982 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 16.8 p-10 -94.91 16.4 16.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.167 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 64.08 15.45 58.46 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.949 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 20.3 mtm180 -156.03 -175.16 5.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.888 0.375 . . . . 0.0 110.986 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 46.6 mt -141.87 143.0 27.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.123 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . 0.43 ' HB3' ' CD2' ' A' ' 111' ' ' TYR . 50.6 p-10 -135.67 -171.98 2.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.825 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 24.1 t80 -63.26 -24.33 67.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.337 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -80.32 -48.73 12.55 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.982 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -71.49 -24.03 61.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.164 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -81.52 -31.19 32.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.868 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.39 -36.22 80.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.892 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -83.72 -30.96 26.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.735 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . 0.421 ' CD1' HG13 ' A' ' 160' ' ' VAL . 13.5 t80 -63.2 -40.38 97.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.885 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 2.7 mmt -88.84 8.2 30.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.238 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.53 40.57 1.04 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.697 0.284 . . . . 0.0 111.108 -179.799 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 104.29 87.32 1.99 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.625 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . 0.421 HG13 ' CD1' ' A' ' 156' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.336 0 CA-C-O 120.759 0.314 . . . . 0.0 111.108 179.788 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 . . . . . 0 CA--C 1.527 0.059 0 CA-C-O 120.851 0.358 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -76.56 -9.36 58.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.991 179.675 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -89.29 -27.98 20.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.088 -179.82 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 72.4 mt -69.46 -14.81 63.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.568 -179.717 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 11.7 t -72.39 -42.16 65.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.761 0.315 . . . . 0.0 110.989 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.98 -27.83 63.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.991 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -78.67 -28.6 45.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.039 -179.824 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.419 ' CZ ' ' HA ' ' A' ' 149' ' ' ASP . 79.2 t80 -62.76 -54.45 38.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.008 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -54.2 -37.5 64.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.912 0.387 . . . . 0.0 110.855 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 61.1 mtt -54.74 -30.53 56.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -84.65 -22.44 29.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.966 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.56 151.23 24.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.913 0.387 . . . . 0.0 110.753 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 6.2 tptm -103.66 -37.41 7.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.846 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 18.5 p-10 -109.36 -12.58 14.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.283 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 64.22 60.05 1.0 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.954 0.407 . . . . 0.0 111.101 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -100.27 -23.74 14.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.046 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 125.32 -2.15 8.26 Favored Glycine 0 CA--C 1.519 0.303 0 C-N-CA 120.619 -0.801 . . . . 0.0 112.817 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.445 ' CD2' ' HB3' ' A' ' 149' ' ' ASP . 54.1 m-85 -151.78 156.38 40.11 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.951 0.405 . . . . 0.0 110.81 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 2.2 mt -127.3 148.84 32.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.699 179.533 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -133.36 -175.17 3.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.972 -179.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.71 -32.95 67.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.089 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -66.34 -50.79 62.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.961 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -71.99 -48.15 46.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.92 0.391 . . . . 0.0 110.889 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 15.7 tp -51.29 -26.52 7.53 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.32 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.4 ' HA ' ' CD2' ' A' ' 121' ' ' LEU . 2.7 tttt -76.84 -31.68 57.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.032 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 33.9 mt -76.99 -41.56 31.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.863 -179.386 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.37 -37.15 86.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.554 -0.293 . . . . 0.0 111.701 -179.236 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.4 ' CD2' ' HA ' ' A' ' 118' ' ' LYS . 3.5 pp -67.53 -19.75 65.33 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.58 0.228 . . . . 0.0 111.383 -179.745 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -57.8 -24.02 55.28 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.79 0.329 . . . . 0.0 110.871 179.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -55.14 -42.3 72.87 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.042 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 11.9 p -59.5 159.44 8.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.705 179.694 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -77.27 -51.07 6.31 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.499 -0.858 . . . . 0.0 112.322 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -58.89 174.38 0.36 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.901 0.381 . . . . 0.0 111.17 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 1.7 p -111.83 124.83 53.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.971 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 26.1 mm -87.49 160.08 2.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.069 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 12.5 t -115.29 166.62 11.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.859 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.97 -31.56 67.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.917 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -69.76 -42.94 73.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.887 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -66.76 -37.41 84.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.072 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 9.1 mt -69.65 -33.86 58.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.081 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -68.44 -55.23 12.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.939 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.11 -25.47 68.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.244 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.9 -52.22 65.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.16 -179.795 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 6.0 ttm -74.63 -19.01 60.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.33 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.72 -70.96 0.13 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.766 0.317 . . . . 0.0 111.106 -179.835 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 24.8 p-10 -55.92 -21.82 22.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.732 -179.693 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -87.71 -29.2 21.88 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.613 -0.803 . . . . 0.0 112.359 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -86.08 113.78 22.42 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.907 0.384 . . . . 0.0 110.915 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -106.66 -13.04 15.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.268 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -94.45 -10.69 31.59 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.72 0.295 . . . . 0.0 111.329 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 15.8 m-20 63.58 30.25 15.07 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 120.784 0.326 . . . . 0.0 110.924 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 40.0 p-10 -102.71 13.33 34.7 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.281 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 64.67 32.91 85.78 Favored Glycine 0 C--N 1.33 0.23 0 C-N-CA 120.884 -0.674 . . . . 0.0 113.199 179.435 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . 0.427 ' HD2' ' CD2' ' A' ' 111' ' ' TYR . 0.8 OUTLIER -160.88 179.71 8.26 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.981 0.42 . . . . 0.0 111.248 179.768 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . 0.413 HG23 HD12 ' A' ' 148' ' ' ILE . 47.0 mt -138.94 155.48 27.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.885 179.737 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . 0.445 ' HB3' ' CD2' ' A' ' 111' ' ' TYR . 6.7 p30 -148.8 168.74 22.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.071 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 28.6 t80 -58.73 -24.13 61.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.298 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -70.05 -59.22 3.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.149 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -79.98 -11.67 59.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.476 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 153' ' ' PHE . . . . . 0.411 ' CE1' ' HG2' ' A' ' 157' ' ' MET . 11.4 t80 -75.05 -32.12 61.47 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.825 0.345 . . . . 0.0 110.82 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.27 -28.84 69.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.999 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -86.9 -26.86 23.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.01 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . 0.419 ' CZ ' HG11 ' A' ' 160' ' ' VAL . 12.9 t80 -76.66 -29.91 56.57 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.809 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 157' ' ' MET . . . . . 0.411 ' HG2' ' CE1' ' A' ' 153' ' ' PHE . 1.5 mmt -83.32 -1.68 53.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.361 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 8.0 mtmm -88.85 49.72 1.83 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.918 0.389 . . . . 0.0 110.926 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 103.92 77.37 1.17 Allowed Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.403 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . 0.419 HG11 ' CZ ' ' A' ' 156' ' ' PHE . 2.2 t . . . . . 0 C--N 1.328 -0.362 0 CA-C-O 120.791 0.329 . . . . 0.0 111.081 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 . . . . . 0 CA--C 1.528 0.123 0 CA-C-O 120.811 0.339 . . . . 0.0 111.076 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.25 -27.12 54.0 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.941 179.82 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.04 1.43 40.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.343 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 41.3 mt -58.95 -28.62 66.45 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.768 0.318 . . . . 0.0 111.013 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' SER . . . . . 0.403 ' HA ' ' CE1' ' A' ' 150' ' ' TYR . 23.3 p -65.45 -33.47 76.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.976 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -74.99 -29.65 60.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.023 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 8.4 mt -75.21 -28.26 59.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.049 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.421 ' CZ ' ' HA ' ' A' ' 149' ' ' ASP . 56.4 t80 -64.6 -50.07 68.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.089 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -54.64 -36.16 64.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.044 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -60.68 -50.69 72.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.72 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -60.63 -28.2 68.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.037 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.74 141.9 51.46 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.822 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 15.9 tptp -82.78 -49.95 9.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.068 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 45.9 p30 -120.05 17.03 12.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.312 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 50.81 72.13 0.37 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.831 0.348 . . . . 0.0 111.33 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -111.75 -2.78 15.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.498 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 97.79 -13.43 63.83 Favored Glycine 0 C--N 1.331 0.282 0 C-N-CA 120.576 -0.821 . . . . 0.0 112.709 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.406 ' CD2' ' HB3' ' A' ' 149' ' ' ASP . 23.4 m-85 -145.22 153.5 41.39 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.709 0.29 . . . . 0.0 110.729 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 8.4 mt -127.8 151.43 34.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.947 0.403 . . . . 0.0 111.131 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -133.05 -176.72 4.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.984 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.84 -44.25 97.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.987 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.12 -47.02 86.79 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.916 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -71.23 -51.06 26.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.798 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 12.5 tp -55.2 -31.14 61.19 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.085 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 15.4 tttt -67.34 -27.37 67.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.015 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 18.4 mt -72.86 -22.98 20.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.362 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 22.3 ttp -82.2 -34.25 29.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.292 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -73.34 -32.88 64.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.239 -179.668 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -64.43 -39.64 94.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.995 0.426 . . . . 0.0 110.56 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -48.7 -37.38 18.51 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.052 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 24.8 p -56.23 177.52 0.06 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.424 179.647 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -113.86 18.48 19.35 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.472 -0.87 . . . . 0.0 112.615 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -101.73 -169.4 1.68 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.748 0.308 . . . . 0.0 110.676 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 68.4 p -119.79 102.55 8.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.745 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 1.7 mp -112.46 152.18 14.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.231 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 1.4 t -105.87 159.88 15.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.849 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -59.92 -29.72 68.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.006 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.49 -30.98 65.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.926 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -69.03 -31.3 69.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.02 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 21.6 mm -70.59 -14.22 17.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.602 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -73.98 -36.53 64.56 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.747 0.308 . . . . 0.0 111.076 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.38 -26.07 67.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.136 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.1 -56.48 14.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.013 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 6.5 ttm -74.3 -20.55 60.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.23 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.21 -69.57 0.11 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.257 -179.851 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . 0.407 ' OD1' ' N ' ' A' ' 140' ' ' GLY . 26.9 p-10 -69.06 -24.43 64.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.432 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . 0.407 ' N ' ' OD1' ' A' ' 139' ' ' ASP . . . -77.08 -6.21 85.82 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.771 179.746 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 36.2 t0 -99.01 121.69 41.29 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.895 0.378 . . . . 0.0 111.024 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -113.34 -27.79 7.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.056 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 15.9 p30 -93.81 -13.15 27.65 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.233 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 70.22 29.86 3.58 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 120.865 0.364 . . . . 0.0 111.345 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 40.2 p-10 -89.75 -29.77 18.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.418 179.42 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 104.54 27.56 6.04 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.45 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 21.1 mtm180 -151.62 -178.24 6.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.964 0.412 . . . . 0.0 110.893 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 25.6 mt -140.12 135.7 37.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.103 179.65 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . 0.421 ' HA ' ' CZ ' ' A' ' 101' ' ' PHE . 4.8 p30 -134.39 172.55 12.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.845 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 150' ' ' TYR . . . . . 0.403 ' CE1' ' HA ' ' A' ' 98' ' ' SER . 11.2 t80 -59.91 -26.42 65.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.286 -179.783 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.5 -62.03 1.57 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.847 0.356 . . . . 0.0 111.022 -179.749 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -73.89 -18.95 60.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.328 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 153' ' ' PHE . . . . . 0.411 ' CE1' ' HG3' ' A' ' 157' ' ' MET . 8.4 t80 -68.18 -42.84 79.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.788 0.327 . . . . 0.0 110.762 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -55.32 -29.15 57.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.064 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -85.69 -33.4 21.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.755 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . 0.425 ' CE1' HG13 ' A' ' 160' ' ' VAL . 14.0 t80 -69.74 -29.11 66.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 157' ' ' MET . . . . . 0.411 ' HG3' ' CE1' ' A' ' 153' ' ' PHE . 0.9 OUTLIER -93.1 3.31 55.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.154 179.876 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 18.3 tttt -91.28 45.4 1.24 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.882 0.372 . . . . 0.0 111.016 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 104.11 69.39 0.78 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.676 -0.774 . . . . 0.0 112.381 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . 0.425 HG13 ' CE1' ' A' ' 156' ' ' PHE . 4.2 t . . . . . 0 C--N 1.328 -0.355 0 CA-C-O 120.797 0.332 . . . . 0.0 111.07 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.974 0.416 . . . . 0.0 110.472 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -57.96 -22.42 49.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.686 179.639 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.43 -9.32 59.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.355 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.408 HD21 ' CE2' ' A' ' 153' ' ' PHE . 19.3 mt -51.22 -25.81 6.1 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.473 -179.749 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 23.0 t -63.44 -37.53 87.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.794 0.33 . . . . 0.0 110.99 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -68.03 -44.21 77.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.075 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.19 -23.92 67.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.115 -179.851 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.409 ' CZ ' ' HA ' ' A' ' 149' ' ' ASP . 63.3 t80 -63.83 -48.59 76.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.716 0.293 . . . . 0.0 111.098 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 17.1 mtp180 -56.49 -33.13 65.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.881 0.372 . . . . 0.0 111.01 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 2.3 mtt -59.77 -52.0 67.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.833 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -66.64 -22.13 66.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.126 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.18 144.5 32.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.82 0.343 . . . . 0.0 110.862 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.9 tptt -110.57 -48.98 3.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.967 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 26.7 p-10 -84.89 -20.4 30.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.107 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 67.56 45.04 1.59 Allowed 'General case' 0 C--O 1.233 0.189 0 CA-C-O 120.983 0.421 . . . . 0.0 111.074 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 20.7 p-10 -95.79 -26.37 15.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.984 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 124.97 2.48 7.82 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.879 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.426 ' CD2' ' HB3' ' A' ' 149' ' ' ASP . 30.7 m-85 -150.36 157.07 42.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.743 0.306 . . . . 0.0 110.897 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 3.9 mt -127.66 148.94 32.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.956 0.408 . . . . 0.0 111.121 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -133.62 179.88 5.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.887 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 1.2 mp -56.37 -29.95 62.08 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.257 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.14 -42.36 99.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.023 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.56 -39.73 70.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.151 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 38.5 mt -53.5 -44.81 69.37 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.78 -34.54 78.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.512 179.644 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 16.0 mt -75.67 -57.24 6.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.216 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 1.3 ptm -58.48 -29.33 66.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.204 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 26.7 mt -72.63 -27.05 61.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.056 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -66.16 -25.76 67.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.824 0.345 . . . . 0.0 110.745 179.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -58.4 -50.41 73.79 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.81 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 13.6 p -61.48 175.85 0.55 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.446 179.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -114.59 19.72 16.19 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.565 -0.826 . . . . 0.0 112.425 179.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -86.45 -175.66 5.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.816 0.341 . . . . 0.0 110.997 -179.765 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 17.8 p -119.18 101.74 8.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.751 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 3.9 mp -111.56 138.62 39.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.153 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.96 164.75 14.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.772 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.53 -45.62 92.13 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.72 -30.27 66.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.919 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.41 -30.52 71.28 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.977 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 5.9 mt -73.79 -17.66 17.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.517 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.16 -36.03 69.21 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.797 0.332 . . . . 0.0 110.996 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -70.34 -22.44 62.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.117 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 2.4 mp -61.23 -53.13 60.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.856 0.36 . . . . 0.0 110.924 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 1.1 mmt -67.98 -26.06 65.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.11 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -51.64 -74.85 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.166 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . 0.406 ' OD1' ' N ' ' A' ' 140' ' ' GLY . 16.0 p-10 -58.89 -33.73 70.84 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.271 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . 0.406 ' N ' ' OD1' ' A' ' 139' ' ' ASP . . . -69.57 -18.31 73.64 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.59 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -98.39 118.47 35.12 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.872 0.367 . . . . 0.0 110.857 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 8.5 mmmt -98.95 -23.06 15.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.157 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 22.7 p-10 -110.34 0.63 18.06 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.394 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 2.1 m120 59.08 38.31 23.95 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.831 0.348 . . . . 0.0 110.942 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 51.3 p-10 -92.06 14.94 14.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.386 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 63.28 15.16 56.35 Favored Glycine 0 CA--C 1.518 0.272 0 C-N-CA 120.896 -0.669 . . . . 0.0 113.289 179.507 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.92 -179.62 8.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.97 0.414 . . . . 0.0 111.199 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 69.1 mt -142.91 151.28 17.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.056 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . 0.426 ' HB3' ' CD2' ' A' ' 111' ' ' TYR . 3.4 p30 -143.11 -177.68 5.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 64.0 t80 -61.56 -26.1 67.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.247 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -77.86 -50.8 11.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.848 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -70.19 -27.24 64.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.933 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 153' ' ' PHE . . . . . 0.408 ' CE2' HD21 ' A' ' 97' ' ' LEU . 21.9 t80 -72.61 -34.31 67.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.872 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -62.69 -32.3 73.36 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -87.01 -33.37 19.6 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.775 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -68.86 -25.8 64.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.673 179.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 157' ' ' MET . . . . . 0.407 ' HG3' ' CZ ' ' A' ' 153' ' ' PHE . 1.1 mmt -91.79 8.21 38.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.433 -0.348 . . . . 0.0 111.162 179.775 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 57.3 mttt -90.78 42.62 1.11 Allowed 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.811 0.338 . . . . 0.0 111.057 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 104.62 89.27 2.1 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.831 -0.7 . . . . 0.0 112.44 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 2.0 t . . . . . 0 C--N 1.328 -0.337 0 CA-C-O 120.801 0.334 . . . . 0.0 111.074 -179.793 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.757 0.313 . . . . 0.0 111.162 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.74 -29.34 68.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.968 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.67 -25.34 49.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.086 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 69.7 mt -54.92 -23.67 20.0 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.213 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 76.1 p -70.04 -49.47 50.88 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.957 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -63.46 -42.46 98.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.935 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 5.0 mt -59.35 -28.87 67.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.922 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.418 ' CZ ' ' HA ' ' A' ' 149' ' ' ASP . 86.7 t80 -61.19 -43.21 99.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.137 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -57.68 -45.66 85.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.964 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 3.4 mmm -53.69 -43.87 69.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.907 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -67.85 -28.05 67.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.934 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -84.29 90.32 7.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.841 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.28 -50.43 71.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.943 -179.826 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 36.4 p-10 -78.92 -27.71 43.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.059 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 65.62 63.74 0.6 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.119 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 29.8 p-10 -111.5 -20.91 12.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.124 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 124.55 0.66 8.53 Favored Glycine 0 CA--C 1.519 0.334 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.825 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.419 ' CD2' ' HB3' ' A' ' 149' ' ' ASP . 95.5 m-85 -154.4 160.45 41.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.804 0.335 . . . . 0.0 110.709 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 11.5 mt -128.02 151.66 35.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.175 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -132.89 173.37 11.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.833 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 1.1 mt -56.84 -29.52 62.92 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.074 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.422 ' O ' ' CG ' ' A' ' 118' ' ' LYS . 1.5 tt0 -71.22 -44.36 65.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.94 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -74.1 -59.21 2.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.239 -179.603 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 53.2 tp -48.91 -30.63 6.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.769 -179.178 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.422 ' CG ' ' O ' ' A' ' 115' ' ' GLU . 0.0 OUTLIER -71.73 -24.18 61.74 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.598 -0.273 . . . . 0.0 111.191 -179.601 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 33.9 mt -74.6 -45.24 45.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.825 0.345 . . . . 0.0 111.175 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 2.9 ttp -58.52 -32.7 69.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.977 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.06 -19.43 63.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.215 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -64.98 -25.17 67.75 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.743 0.306 . . . . 0.0 110.837 179.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -55.97 -46.68 78.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.939 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 68.2 p -56.49 175.33 0.11 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.672 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -114.07 22.12 14.59 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.598 -0.811 . . . . 0.0 112.542 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -107.58 127.18 53.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.639 0.257 . . . . 0.0 110.845 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 46.0 p -65.19 99.87 0.41 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.069 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 35.5 mm -101.41 160.06 3.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.804 179.649 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 1.8 m -107.54 160.52 15.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.721 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.92 -29.53 68.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.004 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -77.76 -29.33 50.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.028 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -69.6 -38.94 77.51 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.98 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 39.3 mt -73.33 -8.62 11.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.655 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -74.13 -29.66 61.92 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.713 0.292 . . . . 0.0 111.081 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -63.27 -37.64 88.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.971 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.54 -45.72 92.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.892 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.34 -31.3 68.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.92 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 2.8 mmmt -58.99 -75.76 0.05 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.119 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 28.9 p-10 -60.16 -20.09 56.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.511 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -79.25 -44.63 9.49 Favored Glycine 0 N--CA 1.453 -0.19 0 C-N-CA 120.564 -0.827 . . . . 0.0 112.403 179.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 36.5 t0 -65.54 104.89 1.08 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.762 0.315 . . . . 0.0 111.001 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 10.6 mmtp -98.49 -23.01 15.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.045 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 30.0 m120 -86.03 -13.42 47.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.117 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 68.07 37.78 2.88 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.861 0.363 . . . . 0.0 110.867 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 17.6 p-10 -112.74 15.54 19.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.195 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 61.29 30.72 74.8 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.57 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 83.7 mtt180 -157.14 178.2 10.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.873 0.368 . . . . 0.0 110.915 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 46.1 mt -131.83 158.33 43.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.95 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . 0.419 ' HB3' ' CD2' ' A' ' 111' ' ' TYR . 2.3 p30 -154.86 167.34 30.59 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.995 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 150' ' ' TYR . . . . . 0.419 ' CZ ' HD21 ' A' ' 154' ' ' LEU . 78.4 t80 -56.36 -27.74 56.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.255 -179.785 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.94 -57.07 5.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.064 -179.829 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -80.09 -9.06 59.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.574 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -77.4 -37.71 51.36 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.777 0.322 . . . . 0.0 110.713 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . 0.419 HD21 ' CZ ' ' A' ' 150' ' ' TYR . 3.5 mm? -67.7 -25.57 65.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.022 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -83.05 -33.28 26.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.864 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . 0.427 ' CE1' HG11 ' A' ' 160' ' ' VAL . 26.6 t80 -76.36 -28.26 56.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.857 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.8 -2.63 58.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.387 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 2.4 tptm -90.57 49.77 1.72 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.844 0.354 . . . . 0.0 110.866 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 103.57 69.63 0.8 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.355 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . 0.427 HG11 ' CE1' ' A' ' 156' ' ' PHE . 6.4 t . . . . . 0 C--N 1.328 -0.349 0 CA-C-O 120.854 0.359 . . . . 0.0 111.03 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 7.9 mtt . . . . . 0 N--CA 1.487 1.396 0 CA-C-O 120.872 0.368 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 21.3 t 57.78 79.81 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.195 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 13.7 ptt180 -112.15 -45.16 3.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 1.1 t -100.86 -36.77 8.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.907 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 24.0 ptm 46.2 -169.45 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.277 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.0 mtpm? -65.24 157.38 29.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.931 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -104.52 168.34 9.15 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.862 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -77.54 166.29 23.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.932 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 89.7 p -62.91 111.19 2.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.913 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.55 -169.95 1.79 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -65.81 103.62 0.87 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.521 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.412 ' CB ' ' HB3' ' A' ' 96' ' ' GLU . 7.3 mmtt -104.82 136.57 44.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.814 0.34 . . . . 0.0 110.963 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -101.55 -78.76 0.52 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.003 -179.697 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -75.98 -44.08 41.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.599 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.7 -19.8 62.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.858 179.665 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.412 ' HB3' ' CB ' ' A' ' 92' ' ' LYS . 0.0 OUTLIER -79.95 -3.08 46.68 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.419 -179.858 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.417 HD21 ' CE2' ' A' ' 153' ' ' PHE . 54.0 mt -59.51 -19.35 47.47 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.536 -179.72 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 43.4 t -69.36 -33.19 72.71 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.791 0.329 . . . . 0.0 111.085 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -81.04 -32.1 34.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.084 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 15.1 mt -68.38 -28.83 67.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.999 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.438 ' CE1' ' HA ' ' A' ' 149' ' ' ASP . 70.6 t80 -61.62 -53.17 59.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.149 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 36.0 mtm180 -56.24 -31.56 63.66 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.005 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 26.3 mtt -64.28 -20.79 66.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.141 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -95.57 -20.48 18.95 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.212 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -82.31 143.65 31.14 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.821 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 4.6 mmpt? -97.01 -33.93 11.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.998 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 34.9 p30 -116.35 -9.34 11.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.309 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 63.69 63.76 0.83 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.868 0.366 . . . . 0.0 111.033 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -104.86 -5.92 20.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.393 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 104.54 -14.03 50.56 Favored Glycine 0 C--N 1.332 0.319 0 C-N-CA 120.608 -0.806 . . . . 0.0 112.722 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -145.09 152.2 39.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.734 0.302 . . . . 0.0 110.736 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 2.8 mt -127.67 153.2 36.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.965 0.412 . . . . 0.0 111.218 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -135.92 175.02 9.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.752 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 4.0 tp -54.37 -40.64 68.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.227 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -58.14 -47.92 81.84 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.898 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -71.23 -53.09 15.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.749 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 14.8 tp -51.63 -29.02 16.19 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.173 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 42.1 tttt -59.97 -41.67 92.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.836 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 2.9 mp -72.51 -26.7 24.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.136 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 4.6 ttp -69.75 -38.66 76.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.855 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.05 -27.28 67.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.985 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 -57.24 -23.59 49.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.851 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -55.78 -45.7 78.1 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.069 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 70.5 p -65.44 170.98 4.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.563 179.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -113.84 26.46 9.99 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.556 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -101.72 -167.01 1.36 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.749 0.309 . . . . 0.0 110.849 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 5.0 p -119.19 111.04 17.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.762 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 28.7 mm -112.65 141.8 27.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.13 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 2.4 p -103.36 166.48 10.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.801 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -59.3 -30.2 68.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.919 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -76.37 -30.79 57.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.909 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -69.45 -43.55 73.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.959 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 22.0 mt -63.73 -22.32 30.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.251 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -73.23 -35.29 66.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.973 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -57.27 -32.69 66.86 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.14 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 1.7 mt -70.59 -44.98 66.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.99 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.94 -35.98 64.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.99 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 2.8 tttt -59.24 -71.2 0.13 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.99 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 28.2 p-10 -58.99 -19.73 46.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.621 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -88.59 -27.04 25.78 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.471 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 56.7 t0 -68.13 110.93 4.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.831 0.348 . . . . 0.0 110.929 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 14.0 mmmt -109.19 -30.18 8.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.994 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -87.83 -4.42 58.87 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.209 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 63.27 26.37 15.09 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.797 0.332 . . . . 0.0 111.213 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 35.8 p-10 -98.01 -22.65 16.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.714 179.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 101.4 7.69 48.39 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.812 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -128.13 -172.12 2.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.873 0.368 . . . . 0.0 110.951 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 47.4 mt -146.23 134.4 15.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.979 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . 0.438 ' HA ' ' CE1' ' A' ' 101' ' ' PHE . 5.8 p-10 -134.14 -173.4 3.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.752 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -58.96 -27.58 65.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.141 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -77.09 -52.89 8.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.722 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -67.35 -25.31 65.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.027 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 153' ' ' PHE . . . . . 0.417 ' CE2' HD21 ' A' ' 97' ' ' LEU . 15.5 t80 -72.64 -41.42 65.5 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.825 0.345 . . . . 0.0 110.876 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -63.87 -31.76 73.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.917 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -83.65 -41.57 17.63 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . 0.448 ' CD1' HG11 ' A' ' 160' ' ' VAL . 20.7 t80 -64.21 -22.48 66.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.098 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 21.3 mmt -101.0 13.27 35.76 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.429 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -91.41 35.19 0.94 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.688 0.28 . . . . 0.0 111.356 -179.712 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 104.39 81.68 1.52 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.622 -0.799 . . . . 0.0 112.674 179.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . 0.448 HG11 ' CD1' ' A' ' 156' ' ' PHE . 1.1 m -114.52 -42.39 3.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.839 0.352 . . . . 0.0 111.2 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.852 -179.965 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 162' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 163' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.861 0.362 . . . . 0.0 111.13 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 10.8 p -99.23 -32.46 3.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.049 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 16.2 ttt-85 -88.83 149.36 23.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.889 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 1.7 m 60.1 31.26 20.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.01 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 3.6 tmm? -69.26 -67.96 0.44 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -84.5 154.27 22.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.956 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 8.6 p30 -110.42 169.55 8.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.983 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -63.53 -22.35 66.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.188 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.5 t -68.25 179.73 1.51 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.961 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 11.5 mttp -74.5 154.8 38.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -67.47 -65.67 2.65 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.572 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.42 ' CB ' ' HB3' ' A' ' 96' ' ' GLU . 80.0 mttt -112.4 145.19 40.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.944 0.402 . . . . 0.0 110.993 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.7 p -100.72 -80.1 0.49 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.819 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -77.77 -46.1 22.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.972 0.415 . . . . 0.0 110.246 179.564 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -56.31 -23.36 36.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.774 179.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.42 ' HB3' ' CB ' ' A' ' 92' ' ' LYS . 0.1 OUTLIER -76.71 -5.82 49.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.258 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.421 HD23 ' CE2' ' A' ' 153' ' ' PHE . 19.9 mt -51.26 -25.79 6.23 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.704 0.287 . . . . 0.0 111.41 -179.736 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 19.9 p -60.78 -31.12 70.49 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.879 0.371 . . . . 0.0 110.99 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.98 -39.7 65.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.916 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 4.3 mp -70.5 -24.76 62.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.094 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.426 ' CZ ' ' HA ' ' A' ' 149' ' ' ASP . 76.0 t80 -58.36 -46.58 86.0 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.018 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 15.1 mtm180 -56.78 -36.28 69.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.97 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 20.0 mmm -59.75 -21.04 60.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.106 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -98.73 -20.17 17.08 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.208 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.14 151.42 22.21 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.899 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.63 -31.03 11.79 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.004 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 15.8 p30 -114.27 -14.11 12.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.302 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 64.62 62.57 0.78 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.946 0.403 . . . . 0.0 111.064 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -106.1 -25.37 12.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.999 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 125.14 -11.16 7.73 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.791 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.431 ' CD2' ' HB3' ' A' ' 149' ' ' ASP . 3.5 m-85 -143.13 146.41 33.72 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.738 0.304 . . . . 0.0 110.865 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 5.6 mt -128.05 154.46 38.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.035 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -138.59 -177.77 5.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.954 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.24 -30.34 66.45 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.9 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.91 -57.35 10.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.773 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -72.02 -49.36 37.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.951 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 2.6 tp -52.86 -27.15 17.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.319 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -74.96 -29.14 60.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.018 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.495 HD11 HG23 ' A' ' 119' ' ' ILE . 26.4 mt -71.79 -49.41 45.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.179 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 1.2 ptm -58.68 -30.22 67.21 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.823 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.437 ' CD2' ' HB ' ' A' ' 128' ' ' ILE . 2.2 tp -63.86 -31.44 72.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.741 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 69.5 mm-40 -62.61 -26.04 68.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.688 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -56.79 -46.82 81.32 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.06 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 20.2 p -60.39 170.19 1.44 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.567 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -113.94 23.5 12.92 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.518 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -98.7 -170.2 1.9 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.838 0.352 . . . . 0.0 110.837 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 24.7 p -120.07 100.38 7.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.774 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . 0.437 ' HB ' ' CD2' ' A' ' 121' ' ' LEU . 3.9 mp -113.2 141.62 28.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.974 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 77.2 p -94.27 167.29 11.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.853 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.86 -30.89 67.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.796 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -75.74 -27.82 58.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.973 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -70.75 -40.5 72.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.956 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 8.1 mt -65.5 -17.54 22.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.437 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -70.34 -53.24 17.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.89 0.376 . . . . 0.0 110.942 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -62.17 -20.75 64.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.224 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.27 -41.38 85.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.853 0.359 . . . . 0.0 110.966 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 26.2 mtp -75.9 -20.56 57.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.319 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 18.2 mmtt -56.92 -70.87 0.11 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.746 0.308 . . . . 0.0 111.201 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 22.7 p-10 -54.45 -24.42 20.07 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.567 -179.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -87.39 -23.64 39.45 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.509 -0.853 . . . . 0.0 112.567 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -81.08 97.0 7.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.814 0.34 . . . . 0.0 111.072 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 4.8 mmmt -98.06 -25.47 14.93 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.919 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -83.76 -12.31 55.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.074 179.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 62.25 29.38 17.38 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.168 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 34.8 p-10 -100.62 13.65 34.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.258 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 67.7 25.79 73.94 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.72 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 11.4 mtt180 -156.99 -172.82 4.18 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.725 0.297 . . . . 0.0 110.958 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 47.9 mt -142.32 134.95 27.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.091 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . 0.431 ' HB3' ' CD2' ' A' ' 111' ' ' TYR . 6.9 p30 -134.45 172.17 13.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.728 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 36.9 t80 -59.79 -24.02 63.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.407 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -70.13 -62.61 1.32 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.817 0.342 . . . . 0.0 111.075 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -72.84 -23.58 60.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.237 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 153' ' ' PHE . . . . . 0.421 ' CE2' HD23 ' A' ' 97' ' ' LEU . 17.4 t80 -62.16 -31.44 71.94 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.887 0.375 . . . . 0.0 110.697 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.84 -25.68 68.01 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.061 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -84.17 -34.23 24.04 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -62.86 -30.98 71.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.951 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -101.69 12.4 37.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.309 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.65 33.88 1.0 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.356 -179.736 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 103.51 73.26 0.94 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.565 -0.826 . . . . 0.0 112.598 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 1.6 m -111.38 30.37 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.81 0.338 . . . . 0.0 111.092 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.868 -179.961 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 162' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 163' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 1.5 mtm . . . . . 0 N--CA 1.486 1.326 0 CA-C-O 120.848 0.356 . . . . 0.0 111.22 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 15.3 m -101.08 30.79 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.164 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -128.29 34.28 4.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.965 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 91.0 m -89.07 -49.67 6.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 2.0 ttt -94.29 -67.83 0.83 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 61.5 tttt -129.4 150.94 50.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.909 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -107.15 -49.34 3.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.898 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -96.76 130.07 44.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.879 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 7.6 t -52.23 -178.59 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.251 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 15.4 ptpt -79.14 158.17 27.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.021 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -104.26 121.63 7.07 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.401 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.2 mtpp -75.15 61.17 1.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.887 0.375 . . . . 0.0 111.182 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -100.9 -94.87 0.27 Allowed 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.797 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -83.18 -36.36 24.76 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-O 120.881 0.372 . . . . 0.0 110.667 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -59.88 -29.58 68.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.829 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.01 -19.88 61.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.135 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 89.3 mt -50.08 -26.25 4.25 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.504 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 21.3 t -67.34 -49.58 63.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.826 0.346 . . . . 0.0 110.933 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -64.92 -42.24 94.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.984 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -55.43 -27.44 47.95 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.2 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -62.48 -51.17 68.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.779 0.323 . . . . 0.0 110.967 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -56.02 -30.53 62.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.945 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 1.1 mmt -62.71 -21.98 66.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.075 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -94.16 -20.11 20.17 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.111 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -92.39 147.62 22.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.799 0.333 . . . . 0.0 110.862 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.02 -29.78 11.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.921 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 22.6 p-10 -113.42 -14.34 12.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.229 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 66.03 72.25 0.4 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.857 0.361 . . . . 0.0 111.066 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -110.61 -27.35 8.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.103 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 125.13 -8.32 8.01 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.886 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.422 ' CD2' ' HB3' ' A' ' 149' ' ' ASP . 1.9 m-85 -147.85 151.91 36.74 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.821 0.343 . . . . 0.0 110.675 179.776 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 3.3 mt -128.09 153.69 37.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.007 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -135.63 -170.62 2.65 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.939 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 3.4 tt -66.67 -35.77 80.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.131 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -60.51 -51.07 70.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.04 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -72.12 -53.86 11.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.962 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 11.6 tp -51.1 -27.72 9.0 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.264 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 4.9 ttmm -70.36 -28.25 64.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.023 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 30.4 mt -70.94 -48.54 55.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.13 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 6.0 ptm -61.27 -31.33 71.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.952 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.2 -31.44 68.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.846 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -65.98 -25.89 67.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.638 179.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -57.93 -44.72 87.09 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.992 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 62.8 p -59.83 176.32 0.3 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.619 179.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -114.21 23.98 12.04 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.431 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -100.38 -172.75 2.26 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.731 0.301 . . . . 0.0 110.869 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -120.02 104.7 10.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.845 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 24.0 mm -112.32 149.48 14.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.134 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 10.2 p -108.95 166.22 10.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.787 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -64.73 -30.75 71.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -69.74 -31.54 69.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.945 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.93 -40.21 75.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.947 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 10.2 mt -66.91 -25.25 33.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.245 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -69.39 -39.84 77.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.88 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -70.22 -30.97 68.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.985 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.53 -47.99 83.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.969 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 15.8 mmm -75.19 -24.45 57.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.126 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 10.5 tptt -56.72 -68.33 0.23 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.105 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 29.8 p-10 -60.43 -19.06 54.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.534 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . 0.43 ' HA2' ' CD1' ' A' ' 156' ' ' PHE . . . -86.54 -32.43 15.93 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.59 -0.814 . . . . 0.0 112.348 179.749 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -69.2 123.06 20.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.916 0.388 . . . . 0.0 111.05 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 4.6 mmtm -108.99 -25.45 10.71 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.98 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 19.0 p-10 -104.67 -2.94 24.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.266 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 66.36 28.44 9.75 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.667 0.27 . . . . 0.0 111.115 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 42.3 p-10 -87.82 5.03 42.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.377 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 67.03 28.99 73.99 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.851 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 42.9 mtt180 -156.86 -177.23 6.46 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.813 0.34 . . . . 0.0 111.057 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 32.2 mm -141.56 141.42 30.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.083 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . 0.422 ' HB3' ' CD2' ' A' ' 111' ' ' TYR . 4.3 p30 -137.5 -176.17 4.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 150' ' ' TYR . . . . . 0.422 ' CE1' ' CD2' ' A' ' 154' ' ' LEU . 38.3 t80 -59.94 -27.26 66.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.131 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.39 -50.05 12.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.822 0.344 . . . . 0.0 110.716 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -68.45 -26.55 65.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.092 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -73.18 -46.33 51.32 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.951 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . 0.422 ' CD2' ' CE1' ' A' ' 150' ' ' TYR . 5.3 mp -56.28 -32.1 64.26 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.941 -179.832 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -85.35 -37.21 20.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.778 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . 0.45 ' CD1' HG13 ' A' ' 160' ' ' VAL . 26.4 t80 -66.29 -26.72 67.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.066 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 1.2 mmt -96.58 11.56 34.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.363 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 8.0 mttt -91.2 37.21 0.93 Allowed 'General case' 0 C--O 1.232 0.153 0 CA-C-O 120.754 0.311 . . . . 0.0 111.476 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 100.06 82.35 1.66 Allowed Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.755 179.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . 0.45 HG13 ' CD1' ' A' ' 156' ' ' PHE . 0.5 OUTLIER -114.66 -39.43 2.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.835 0.35 . . . . 0.0 111.16 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 -179.973 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 162' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 163' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.879 0.371 . . . . 0.0 111.116 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 21.3 t 63.77 143.1 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.057 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.51 -35.03 75.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.024 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 5.9 t 58.83 91.03 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 1.1 mtp -81.65 163.87 22.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.928 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 14.7 mtpt -85.9 151.67 23.59 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.972 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -105.46 36.82 2.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.997 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -112.15 21.07 16.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.152 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -106.81 -51.72 2.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.874 0.368 . . . . 0.0 111.04 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.36 -176.8 0.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.058 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -53.2 120.45 13.02 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.97 -0.633 . . . . 0.0 112.776 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.424 ' HD2' ' CB ' ' A' ' 95' ' ' GLU . 6.6 mtmt -112.51 152.63 28.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.739 0.304 . . . . 0.0 110.785 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -101.82 -86.26 0.42 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.552 -179.248 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -75.99 -28.44 57.82 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.829 0.347 . . . . 0.0 111.016 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.424 ' CB ' ' HD2' ' A' ' 92' ' ' LYS . 3.7 mt-10 -79.93 -10.52 59.78 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.143 179.793 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.418 ' HB3' ' HB2' ' A' ' 92' ' ' LYS . 0.1 OUTLIER -84.09 -25.34 29.84 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.86 0.362 . . . . 0.0 111.109 179.881 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 38.2 mt -57.9 -20.05 34.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.628 -179.674 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.8 t -71.18 -47.56 56.85 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.73 0.3 . . . . 0.0 110.995 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -67.55 -39.34 84.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.071 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.89 -28.43 64.54 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.05 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.426 ' CZ ' ' HA ' ' A' ' 149' ' ' ASP . 31.7 t80 -55.49 -30.35 60.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.927 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.1 -32.1 73.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.791 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 5.3 mmm -60.06 -52.55 64.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.828 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -67.29 -26.13 66.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.997 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -82.71 151.25 26.3 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.865 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.11 -47.43 3.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.82 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -79.24 -23.17 43.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.963 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 65.21 41.06 4.63 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.845 0.355 . . . . 0.0 111.042 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 22.4 p-10 -97.96 -23.77 15.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.114 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 125.07 -1.24 8.37 Favored Glycine 0 CA--C 1.52 0.373 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.839 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.428 ' CD2' ' HB3' ' A' ' 149' ' ' ASP . 15.5 m-85 -145.43 150.81 37.19 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.819 0.342 . . . . 0.0 110.807 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 17.0 mt -127.95 154.34 38.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.012 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -132.94 -175.9 3.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.998 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -62.74 -33.3 74.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.24 -179.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -58.36 -44.82 88.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.137 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -71.82 -33.74 68.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.13 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 86.9 mt -55.43 -48.14 74.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.764 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 22.1 mttt -59.54 -27.49 66.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.636 179.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 42.8 mt -75.97 -58.83 3.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.178 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 1.9 ptm -59.52 -31.12 69.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.011 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -70.05 -30.83 68.19 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.893 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 7.4 mm-40 -62.92 -25.0 68.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.591 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -56.56 -46.38 80.74 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.976 179.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 11.5 p -62.57 174.86 0.89 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.496 179.688 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -114.07 19.43 17.87 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.624 -0.798 . . . . 0.0 112.588 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -107.41 124.48 49.91 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.914 0.387 . . . . 0.0 110.738 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 46.7 p -59.99 104.57 0.31 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.063 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 29.5 mm -97.3 155.51 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.973 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 15.1 t -111.44 160.06 17.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.796 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -59.34 -35.05 73.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.932 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.72 -30.81 71.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.975 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.99 -37.04 58.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.898 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 16.8 mt -69.56 -31.85 50.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.127 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -65.6 -57.38 8.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.977 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.09 -21.59 46.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.23 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.25 -50.22 74.35 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.843 0.354 . . . . 0.0 110.874 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.03 -22.24 61.42 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.195 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 10.6 tttt -49.84 -72.49 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.809 0.338 . . . . 0.0 111.348 -179.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . 0.423 ' OD2' ' CZ ' ' A' ' 156' ' ' PHE . 19.2 p-10 -63.61 -31.52 72.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.358 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . 0.417 ' N ' ' OD1' ' A' ' 139' ' ' ASP . . . -69.65 -26.08 74.83 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.491 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -88.91 117.98 28.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.787 0.327 . . . . 0.0 110.854 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.75 -24.81 16.33 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.096 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 31.1 p30 -116.35 18.04 15.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.108 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 15.8 p30 43.2 42.98 3.75 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.643 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 35.9 p-10 -93.06 14.36 18.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.278 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 62.86 15.87 55.88 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.944 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 49.3 mtt180 -149.1 -177.88 6.07 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.788 0.327 . . . . 0.0 110.934 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . 0.424 HD13 HG21 ' A' ' 148' ' ' ILE . 36.1 mt -148.4 137.69 15.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.26 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . 0.428 ' HB3' ' CD2' ' A' ' 111' ' ' TYR . 4.1 p30 -134.16 177.86 7.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.591 179.631 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 150' ' ' TYR . . . . . 0.424 ' CZ ' HD22 ' A' ' 154' ' ' LEU . 19.8 t80 -56.71 -38.28 72.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.83 0.348 . . . . 0.0 110.95 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.48 -55.41 31.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.697 179.802 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -71.07 -27.77 63.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.057 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -72.33 -42.74 65.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.886 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . 0.424 HD22 ' CZ ' ' A' ' 150' ' ' TYR . 11.9 mt -56.11 -31.74 63.56 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.838 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -82.64 -34.6 27.45 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.742 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . 0.423 ' CZ ' ' OD2' ' A' ' 139' ' ' ASP . 16.3 t80 -68.42 -34.08 75.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.671 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -90.06 2.55 55.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.157 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.04 45.66 1.26 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.857 0.36 . . . . 0.0 110.972 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 104.26 76.03 1.07 Allowed Glycine 0 N--CA 1.453 -0.204 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.4 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 2.8 t -71.05 -35.76 60.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.821 0.343 . . . . 0.0 111.107 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.87 -179.992 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 162' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 163' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 1.5 ttp . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.707 0.289 . . . . 0.0 111.211 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 6.5 m -140.24 130.76 29.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.052 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 40.4 ttt180 -117.31 104.93 11.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.986 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 59.9 m -130.06 117.93 20.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.796 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 3.2 tpp -170.82 -42.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.931 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.59 30.39 15.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.873 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -78.54 104.38 9.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.876 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -102.48 167.06 10.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.958 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 27.4 t -106.49 84.68 2.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 63.3 mttt -87.79 104.13 16.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.964 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.452 ' O ' ' N ' ' A' ' 93' ' ' THR . . . -79.65 165.06 49.38 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.365 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 8.7 mttt -63.29 68.6 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.818 0.342 . . . . 0.0 111.388 -179.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.452 ' N ' ' O ' ' A' ' 91' ' ' GLY . 15.2 p -101.25 -165.87 1.25 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.749 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -59.37 -29.66 67.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.802 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.65 -24.31 21.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.027 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -90.54 12.51 18.52 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.361 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.425 HD21 ' CE2' ' A' ' 153' ' ' PHE . 31.5 mt -65.19 -29.07 69.85 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.758 0.313 . . . . 0.0 110.891 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.407 ' HB2' ' CZ ' ' A' ' 150' ' ' TYR . 1.0 OUTLIER -69.31 -48.3 61.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.725 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.57 -42.32 96.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.857 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.35 -30.11 70.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.917 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.422 ' CZ ' ' HA ' ' A' ' 149' ' ' ASP . 65.8 t80 -59.9 -40.63 89.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.935 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 11.9 ttm180 -58.59 -40.58 83.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.868 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 3.1 mtt -56.63 -49.12 75.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.796 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -61.72 -27.81 68.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.902 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.29 154.78 30.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.909 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.89 -46.94 3.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.946 0.403 . . . . 0.0 110.923 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 25.6 p30 -91.83 -19.55 22.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.077 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 67.11 62.61 0.47 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.906 0.384 . . . . 0.0 111.078 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -110.49 -26.34 9.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.105 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 125.05 0.87 8.14 Favored Glycine 0 CA--C 1.519 0.318 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.783 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.433 ' CD2' ' HB3' ' A' ' 149' ' ' ASP . 6.0 m-85 -150.29 154.02 37.15 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.711 0.291 . . . . 0.0 110.746 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 6.0 mt -128.35 155.4 40.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.955 0.407 . . . . 0.0 111.11 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -134.64 179.07 6.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.853 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.68 -28.45 67.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.98 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -68.17 -60.98 2.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.838 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -61.26 -53.21 59.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.71 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 11.7 tp -49.21 -28.62 4.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.207 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 44.7 tttt -76.18 -29.64 57.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.9 179.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 22.4 mt -73.35 -51.14 26.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.203 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -56.71 -30.26 63.29 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.058 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 14.7 mt -67.37 -22.25 65.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.066 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 10.3 mm100 -61.32 -24.54 66.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.504 -0.317 . . . . 0.0 110.855 179.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -56.09 -47.44 78.03 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.961 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 16.6 p -62.55 174.88 0.88 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.59 179.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -114.03 21.48 15.63 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.594 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -107.76 124.77 50.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.876 0.369 . . . . 0.0 110.865 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 1.2 p -63.17 103.09 0.44 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.933 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 22.1 mm -95.05 159.03 2.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.142 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 9.0 t -117.75 165.95 13.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -64.83 -30.66 71.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.905 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -70.97 -31.25 67.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.816 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -68.64 -40.49 80.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.905 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 4.1 mt -73.77 -28.77 24.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.112 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.78 -41.58 86.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.853 0.359 . . . . 0.0 111.107 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.64 -28.62 64.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.079 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.93 -52.32 64.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.838 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 1.9 ttm -71.89 -25.8 62.08 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.046 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 7.6 tttt -53.11 -69.47 0.11 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.224 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 23.9 p-10 -68.66 -24.96 64.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.326 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -76.98 -5.07 84.36 Favored Glycine 0 CA--C 1.52 0.383 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.662 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 63.1 t0 -92.83 130.23 38.5 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.798 0.333 . . . . 0.0 110.849 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 13.6 mmmt -122.53 -31.74 3.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.293 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 30.4 m120 -97.1 20.32 11.51 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.115 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 7.4 p-10 42.7 32.02 0.35 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.72 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 19.9 p-10 -95.66 -26.52 15.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.602 179.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 98.44 19.26 23.56 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.882 -0.675 . . . . 0.0 112.633 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 11.4 mtt180 -139.93 -178.59 5.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.824 0.345 . . . . 0.0 110.733 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 25.4 mt -136.24 139.21 45.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.337 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . 0.433 ' HB3' ' CD2' ' A' ' 111' ' ' TYR . 3.0 p30 -137.13 167.33 21.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.777 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 150' ' ' TYR . . . . . 0.407 ' CZ ' ' HB2' ' A' ' 98' ' ' SER . 20.2 t80 -57.33 -27.92 62.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.373 -179.623 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.86 -60.28 2.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.806 0.336 . . . . 0.0 111.073 -179.774 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -77.12 -12.93 60.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.456 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 153' ' ' PHE . . . . . 0.425 ' CE2' HD21 ' A' ' 97' ' ' LEU . 17.9 t80 -73.27 -33.16 65.1 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.883 0.373 . . . . 0.0 110.787 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.78 -29.28 70.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.982 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -86.67 -29.73 22.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . 0.435 ' CE1' HG13 ' A' ' 160' ' ' VAL . 13.4 t80 -73.3 -41.82 63.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.845 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 157' ' ' MET . . . . . 0.4 ' HG3' ' CZ ' ' A' ' 153' ' ' PHE . 0.8 OUTLIER -81.14 -1.52 44.83 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.212 179.804 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 11.0 tttt -90.66 50.41 1.81 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.914 0.387 . . . . 0.0 110.67 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 104.31 89.99 2.14 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.3 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . 0.435 HG13 ' CE1' ' A' ' 156' ' ' PHE . 0.0 OUTLIER -107.97 -53.88 6.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.758 0.313 . . . . 0.0 111.066 -179.846 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.906 179.985 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 162' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 163' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.326 0 CA-C-O 120.859 0.361 . . . . 0.0 111.218 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 12.9 p -115.53 44.22 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.858 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 14.3 ptt180 -101.15 175.35 5.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.979 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 13.3 p -63.04 135.4 57.24 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.948 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -105.18 -31.3 9.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 26.3 mttp -97.74 139.27 33.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.842 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 16.2 p-10 -95.15 162.99 13.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.968 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -99.22 -36.83 9.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.856 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 12.8 m -80.48 115.64 20.11 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.956 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.5 mtpp -110.12 127.73 55.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.83 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -76.85 99.9 1.42 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.407 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 31.7 mttt -61.71 84.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.9 0.381 . . . . 0.0 110.99 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 11.8 t -88.65 -168.03 2.07 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.961 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -61.47 -33.14 73.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -56.07 -28.96 59.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.885 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -91.01 17.79 7.52 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.403 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 13.4 mt -64.99 -18.94 65.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.637 -0.256 . . . . 0.0 111.17 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.1 p -73.11 -33.55 65.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.819 0.342 . . . . 0.0 110.993 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -59.09 -42.11 89.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.819 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 11.3 mt -78.5 -17.32 56.41 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.175 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.424 ' CZ ' ' HA ' ' A' ' 149' ' ' ASP . 67.9 t80 -58.52 -43.97 89.37 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.812 0.339 . . . . 0.0 111.168 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.23 -31.01 69.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.837 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 13.3 mmm -63.69 -20.63 65.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.228 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -94.09 -21.95 18.8 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.157 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -79.63 146.95 32.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.016 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.03 -37.95 9.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.953 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 38.0 p-10 -107.13 -8.89 16.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.333 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 64.5 66.29 0.61 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.886 0.374 . . . . 0.0 111.107 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -111.4 -29.42 7.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.971 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 125.19 -3.65 8.34 Favored Glycine 0 CA--C 1.519 0.303 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.794 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.424 ' CD2' ' HB3' ' A' ' 149' ' ' ASP . 6.2 m-85 -147.22 152.58 38.6 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.722 0.296 . . . . 0.0 110.822 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 2.6 mt -127.51 152.1 35.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.117 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 23.7 p-10 -137.59 -173.64 3.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.961 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 6.6 tp -57.95 -35.02 70.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.993 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.84 -56.89 10.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.837 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.34 -45.26 84.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.913 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 25.5 tp -55.08 -29.25 57.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.02 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.41 -28.72 64.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.838 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 28.0 mm -71.18 -25.46 25.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.235 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 5.4 tmm? -82.21 -32.5 29.79 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.063 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -73.4 -30.61 63.38 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.16 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -69.57 -39.62 77.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.001 0.429 . . . . 0.0 110.524 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -52.03 -43.38 63.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.95 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.25 178.74 0.25 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.356 179.594 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -112.74 17.59 22.86 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.524 -0.846 . . . . 0.0 112.733 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -107.07 124.27 49.42 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.815 0.341 . . . . 0.0 110.865 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 81.5 p -65.21 104.14 0.88 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.292 -179.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 42.4 mm -105.89 158.0 6.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.828 179.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -101.68 158.2 16.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.902 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.19 -30.23 67.3 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.81 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -76.55 -27.83 56.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.063 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.16 -40.91 74.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.882 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 15.9 mt -69.49 -21.12 24.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.287 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -59.05 -35.72 73.81 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.882 0.372 . . . . 0.0 110.956 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -82.63 -19.51 38.14 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.207 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.69 -46.76 88.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.777 0.322 . . . . 0.0 110.981 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.9 -23.7 55.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.31 -179.823 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 20.9 mttt -55.99 -67.82 0.26 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.209 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 24.3 p-10 -57.5 -21.2 36.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.628 -179.696 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . 0.42 ' HA2' ' CG ' ' A' ' 156' ' ' PHE . . . -80.22 -44.24 9.0 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.528 -0.844 . . . . 0.0 112.271 179.798 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -68.39 127.27 32.35 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-O 120.801 0.334 . . . . 0.0 110.977 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 3.9 mmmp? -103.31 -18.87 14.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.173 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 23.8 p30 -102.11 -21.24 14.46 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.82 0.343 . . . . 0.0 110.888 179.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 1.5 t30 75.7 56.97 0.06 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.278 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -108.44 -32.52 7.39 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.122 179.087 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 118.16 13.85 6.84 Favored Glycine 0 N--CA 1.451 -0.307 0 CA-C-N 115.768 -0.651 . . . . 0.0 112.836 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 19.8 mtt85 -144.51 -170.82 3.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.871 0.367 . . . . 0.0 110.817 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . 0.462 HG21 HD11 ' A' ' 148' ' ' ILE . 33.4 mt -148.79 138.92 16.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.108 179.773 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . 0.424 ' HB3' ' CD2' ' A' ' 111' ' ' TYR . 51.1 p30 -134.22 170.71 15.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.814 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 41.2 t80 -59.89 -24.08 63.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.205 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -69.83 -63.22 1.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.916 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -70.55 -25.52 63.13 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.144 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -62.37 -30.65 71.34 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.761 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.23 -28.33 69.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.917 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -87.8 -31.98 19.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.007 0.432 . . . . 0.0 110.766 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . 0.44 ' CD1' HG13 ' A' ' 160' ' ' VAL . 14.3 t80 -65.35 -26.46 68.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.022 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -97.31 14.38 26.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.27 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.65 35.14 0.96 Allowed 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 116.548 -0.297 . . . . 0.0 111.277 -179.654 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 104.24 80.97 1.46 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.75 179.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . 0.44 HG13 ' CD1' ' A' ' 156' ' ' PHE . 0.7 OUTLIER -114.36 -36.38 2.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.746 0.307 . . . . 0.0 111.16 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.978 179.999 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 162' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 163' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.778 0.323 . . . . 0.0 111.219 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 19.9 t 69.0 -67.35 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.191 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.29 83.39 5.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.952 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -174.18 113.45 0.18 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.89 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 61.42 112.77 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.61 95.34 1.08 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.879 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -72.43 89.23 1.24 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.951 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.1 p30 -105.5 173.42 6.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.961 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 83.6 p -99.11 36.42 1.72 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.935 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.24 126.97 35.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -87.27 -175.72 48.86 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.583 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 33.7 mttm -53.01 115.7 1.99 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.777 0.322 . . . . 0.0 111.095 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 11.1 t -100.5 -167.63 1.47 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.906 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.41 -28.81 67.27 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.816 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -57.62 -26.74 62.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.932 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -91.37 18.18 7.5 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.427 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 20.4 mt -76.09 -25.47 55.53 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.106 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -67.12 -36.23 81.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.016 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.98 -40.19 78.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 4.7 mt -67.31 -27.55 67.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.009 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.428 ' CZ ' ' HA ' ' A' ' 149' ' ' ASP . 75.9 t80 -58.31 -43.34 88.09 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.02 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 7.9 mtt85 -57.82 -37.54 74.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.945 0.402 . . . . 0.0 111.029 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 4.3 mmt -62.87 -18.79 63.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.18 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -102.98 -25.39 13.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.054 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -96.5 93.26 6.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.898 0.38 . . . . 0.0 111.057 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 45.0 mmtm -55.57 -46.1 77.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.943 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -70.2 -30.98 68.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.989 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 62.45 53.83 2.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.161 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -110.91 -19.86 12.65 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.18 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 125.09 -10.42 7.82 Favored Glycine 0 C--N 1.331 0.269 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.785 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.418 ' CD2' ' HB3' ' A' ' 149' ' ' ASP . 1.8 m-85 -145.89 150.8 36.79 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.737 0.304 . . . . 0.0 110.774 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 1.3 mp -127.56 154.93 38.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.01 179.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 18.6 p30 -136.4 -176.65 4.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.902 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 3.7 mp -58.61 -28.24 65.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.09 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.17 -59.75 2.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.008 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.78 -54.88 32.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 4.3 tp -51.09 -27.53 8.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.251 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.91 -35.03 70.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.923 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 7.9 mt -68.76 -36.9 76.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.096 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 6.2 tmm? -60.38 -34.41 73.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.25 -30.95 63.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.89 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 58.9 mm-40 -60.15 -26.82 66.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.828 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -55.67 -44.53 77.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.075 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 16.3 p -69.01 169.07 12.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.639 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -112.2 23.81 15.48 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.551 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -108.14 126.27 52.58 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.789 0.328 . . . . 0.0 110.773 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 62.5 p -58.57 109.97 0.9 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.051 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 17.4 mm -104.42 157.71 5.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.076 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 2.2 p -106.2 158.28 16.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.832 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -59.66 -30.3 68.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -72.59 -31.58 65.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.95 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.36 -41.05 98.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 2.8 mt -68.93 -28.31 39.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.202 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -66.34 -41.63 89.32 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.978 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -72.4 -29.69 63.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.091 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.32 -49.09 79.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.981 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -77.91 -23.66 48.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.232 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 4.8 tttt -55.6 -67.89 0.25 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.199 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 28.1 p-10 -60.51 -18.38 51.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.56 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -84.65 -42.63 7.21 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.461 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -78.93 133.98 36.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.883 0.373 . . . . 0.0 110.988 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 46.0 mmtt -119.96 -4.19 10.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.308 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -96.65 -7.2 34.79 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.64 0.257 . . . . 0.0 111.314 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 28.9 t30 67.31 26.22 8.58 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.705 0.288 . . . . 0.0 111.251 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -98.03 -21.88 16.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.812 179.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 92.5 27.7 14.48 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.842 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 5.5 mtt180 -142.48 179.64 6.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.787 0.327 . . . . 0.0 111.096 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 44.4 mt -145.82 134.51 16.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.075 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . 0.428 ' HA ' ' CZ ' ' A' ' 101' ' ' PHE . 4.6 p30 -134.29 -171.46 2.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.79 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 23.5 t80 -54.75 -27.04 38.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.234 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -80.49 -47.21 14.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.938 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -72.7 -17.33 61.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.208 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 153' ' ' PHE . . . . . 0.435 ' CE1' ' CG ' ' A' ' 157' ' ' MET . 1.5 t80 -86.21 -33.36 20.78 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 120.892 0.377 . . . . 0.0 110.827 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 7.5 mp -75.84 -34.34 60.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.781 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -78.8 -41.3 30.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.675 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 37.5 t80 -68.72 -27.23 65.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.702 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 157' ' ' MET . . . . . 0.435 ' CG ' ' CE1' ' A' ' 153' ' ' PHE . 30.3 mmt -89.62 4.76 48.39 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.32 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 5.2 tttp -88.8 42.42 1.08 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.72 0.295 . . . . 0.0 111.271 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 103.98 75.49 1.05 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.453 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 2.4 t -74.98 -61.06 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.829 0.347 . . . . 0.0 111.025 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.896 -179.893 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 162' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 163' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 2.4 mmm . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.81 0.338 . . . . 0.0 111.186 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 21.3 t 64.25 97.04 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.083 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.1 ptm180 -98.26 173.51 6.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.975 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 60.43 20.28 9.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.173 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER 53.03 -168.53 0.05 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.845 0.355 . . . . 0.0 111.003 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -147.19 163.82 35.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.975 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -74.27 72.67 1.78 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.782 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -99.4 115.65 29.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.854 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 11.3 t -53.46 101.43 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.165 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.45 -165.4 1.11 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.624 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -70.54 65.61 0.8 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.332 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 22.4 mmtt -60.92 145.95 48.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.973 0.415 . . . . 0.0 111.102 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -102.6 -78.87 0.53 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.987 -179.642 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -80.18 -28.85 38.67 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.621 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -79.44 -9.7 59.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.846 179.487 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -86.17 -24.79 26.01 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.193 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 96.0 mt -55.16 -23.55 22.09 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.333 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.408 ' HA ' ' CE1' ' A' ' 150' ' ' TYR . 44.6 p -68.64 -40.45 80.27 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.801 0.334 . . . . 0.0 111.029 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -70.16 -31.48 68.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.023 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.43 -29.95 67.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.068 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.425 ' CE1' ' HA ' ' A' ' 149' ' ' ASP . 74.8 t80 -58.31 -55.94 28.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.907 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -57.42 -31.59 66.03 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.772 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 5.9 mmt -63.87 -22.5 66.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.003 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -92.85 -23.19 18.9 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.983 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.32 140.98 40.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.864 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.59 -38.21 10.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.835 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 7.6 p-10 -111.92 -13.33 13.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.236 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 67.05 69.46 0.39 Allowed 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.814 0.34 . . . . 0.0 111.066 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -111.63 -2.93 15.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.498 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 102.25 -9.91 56.38 Favored Glycine 0 CA--C 1.519 0.296 0 C-N-CA 120.532 -0.842 . . . . 0.0 112.79 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.419 ' CD2' ' HB3' ' A' ' 149' ' ' ASP . 58.1 m-85 -147.64 155.27 41.61 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.744 0.306 . . . . 0.0 110.79 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 12.1 mt -127.84 151.36 34.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.913 0.387 . . . . 0.0 111.226 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -132.96 -176.53 4.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.881 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.92 -31.17 68.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.96 -59.93 2.89 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 18.1 mp0 -59.73 -45.27 92.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 59.7 tp -58.62 -30.39 67.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.006 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.95 -46.33 88.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 3.9 mt -69.02 -27.68 36.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.159 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 3.3 tmm? -63.69 -54.32 37.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.826 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 10.4 mp -63.94 -22.59 66.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.209 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -64.01 -24.47 67.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.76 0.314 . . . . 0.0 110.785 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -56.76 -47.0 81.1 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.999 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 30.2 p -58.74 174.88 0.3 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.572 179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -114.44 24.16 11.6 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.565 -0.826 . . . . 0.0 112.498 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -96.18 -169.37 1.91 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.838 0.351 . . . . 0.0 110.911 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 1.8 p -119.98 102.76 8.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.899 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 4.7 mt -112.72 145.39 18.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.161 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.85 160.32 14.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.813 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.26 -30.51 71.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.923 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -75.35 -31.15 60.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.85 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -64.86 -36.47 84.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 4.3 mt -73.05 -23.39 20.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.365 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.26 -47.66 83.39 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.975 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -66.65 -23.98 66.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.192 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.06 -54.13 48.62 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.915 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 9.1 ttm -73.66 -26.91 60.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.163 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 54.7 mttt -54.84 -67.89 0.23 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.26 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 29.1 p-10 -58.84 -20.06 47.18 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.465 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -83.58 -42.61 7.73 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.53 -0.843 . . . . 0.0 112.26 179.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 49.6 t0 -63.41 115.5 4.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.845 0.355 . . . . 0.0 110.901 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -108.51 -25.25 11.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.931 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -83.44 -17.9 40.51 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.96 179.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 71.1 31.46 2.47 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.144 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 45.0 p-10 -94.94 -28.58 15.1 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.332 179.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 111.9 16.13 9.46 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.991 -0.623 . . . . 0.0 112.921 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 2.9 ptt180 -149.25 -175.51 5.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.824 0.345 . . . . 0.0 110.998 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 44.0 mt -134.98 148.0 29.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.31 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . 0.425 ' HA ' ' CE1' ' A' ' 101' ' ' PHE . 2.5 p30 -140.64 168.22 20.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.678 179.703 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 150' ' ' TYR . . . . . 0.408 ' CE1' ' HA ' ' A' ' 98' ' ' SER . 28.4 t80 -60.39 -26.03 66.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.568 -179.561 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.7 -61.88 1.61 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.866 0.365 . . . . 0.0 110.992 -179.761 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -69.43 -26.55 64.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.212 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 25.0 t80 -57.94 -31.3 66.69 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.789 0.328 . . . . 0.0 110.879 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -65.69 -27.77 68.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.037 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -80.53 -38.98 28.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.874 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . 0.421 ' CE1' HG11 ' A' ' 160' ' ' VAL . 42.9 t80 -71.02 -11.22 60.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.167 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 4.4 mmt -103.86 5.8 36.08 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.603 -0.271 . . . . 0.0 111.422 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.59 42.9 1.12 Allowed 'General case' 0 CA--C 1.528 0.122 0 CA-C-O 120.826 0.346 . . . . 0.0 110.982 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 104.78 79.1 1.28 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.442 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . 0.421 HG11 ' CE1' ' A' ' 156' ' ' PHE . 2.7 t -81.09 -61.84 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.883 0.373 . . . . 0.0 111.159 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 5.6 pm0 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.893 179.982 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 162' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 163' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.788 0.328 . . . . 0.0 111.113 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 12.0 p -114.97 135.98 53.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.084 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.8 ttp180 -155.12 104.12 2.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.943 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 6.8 m 60.09 70.17 0.65 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.969 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 2.1 ttt -154.68 79.44 1.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.937 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -98.63 158.37 15.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.79 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -99.05 31.37 3.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.848 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 14.8 p-10 -83.62 66.36 8.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.86 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -85.98 54.77 3.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.989 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.02 103.55 16.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.84 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -70.71 162.18 53.73 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.405 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 4.3 mttm -72.87 61.55 0.56 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.795 0.331 . . . . 0.0 111.1 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.402 ' O ' ' HG2' ' A' ' 96' ' ' GLU . 53.4 m -102.63 -87.25 0.42 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.801 -179.704 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -83.56 -31.94 26.09 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-O 120.941 0.401 . . . . 0.0 110.774 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -69.07 -28.56 66.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.978 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.402 ' HG2' ' O ' ' A' ' 93' ' ' THR . 3.2 pt-20 -74.59 -25.2 59.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.057 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 80.9 mt -52.87 -27.7 19.7 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.319 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.1 p -77.75 -41.48 37.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.904 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.68 -35.22 67.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 4.7 mt -73.66 -20.82 60.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.171 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -61.81 -47.15 86.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.969 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.03 -30.96 69.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.897 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.11 -21.94 66.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.067 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -92.23 -25.98 18.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.004 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.03 153.59 39.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.921 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.66 -41.95 7.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.924 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 13.7 p30 -104.4 -8.11 19.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.383 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 62.8 67.33 0.7 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.924 0.393 . . . . 0.0 111.112 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -111.37 -29.53 7.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.959 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 125.05 -0.47 8.3 Favored Glycine 0 CA--C 1.519 0.316 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.817 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.424 ' CD2' ' HB3' ' A' ' 149' ' ' ASP . 22.6 m-85 -147.32 153.79 40.14 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.773 0.321 . . . . 0.0 110.783 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 1.7 mt -127.67 149.79 32.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.957 0.408 . . . . 0.0 111.045 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 37.7 p30 -135.97 -175.23 3.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.917 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.12 -29.59 67.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.918 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.71 -60.49 2.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -60.76 -48.47 81.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.803 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 15.4 tp -54.27 -29.58 47.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.029 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 1.6 tttt -62.62 -36.51 82.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.794 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 3.9 mt -71.32 -39.07 71.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.938 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 2.8 tmm? -60.66 -31.9 71.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.936 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -75.66 -28.55 58.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.924 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -58.4 -25.04 61.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.805 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -55.16 -43.58 74.37 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.954 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 26.7 p -61.23 158.93 13.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.671 179.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -77.29 -51.37 6.15 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.564 -0.826 . . . . 0.0 112.309 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -53.66 172.79 0.06 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.996 0.427 . . . . 0.0 111.289 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 43.6 p -103.51 126.24 50.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.022 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 21.2 mm -101.89 161.04 3.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.928 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 3.8 t -114.99 163.87 14.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.954 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.81 -30.33 70.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.098 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -66.3 -46.45 76.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.041 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -59.18 -48.39 81.8 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.994 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 4.3 mt -63.97 -25.36 37.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.253 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -69.2 -35.68 76.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.07 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -82.73 -28.62 30.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.076 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 1.1 tp -56.63 -46.99 80.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.052 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 27.8 ttm -74.95 -18.54 60.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.281 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.25 -66.37 0.47 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.248 -179.737 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 27.1 p-10 -56.66 -21.09 24.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.664 -179.62 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -91.86 -25.89 21.2 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.568 -0.825 . . . . 0.0 112.489 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -77.95 93.39 4.42 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.82 0.343 . . . . 0.0 111.022 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 16.2 mmtt -91.47 -25.29 19.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.978 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -84.92 -18.72 33.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.105 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 7.5 t30 67.77 30.36 6.39 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.873 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 22.1 p-10 -101.94 14.76 31.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.181 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 65.98 21.66 69.85 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.698 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 46.1 mtt180 -157.06 159.68 38.18 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.895 0.379 . . . . 0.0 110.994 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 21.2 mt -117.93 144.7 25.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.14 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . 0.424 ' HB3' ' CD2' ' A' ' 111' ' ' TYR . 2.2 p30 -134.24 167.74 20.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.738 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 150' ' ' TYR . . . . . 0.444 ' O ' ' HG ' ' A' ' 154' ' ' LEU . 63.4 t80 -59.92 -26.43 65.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.37 -179.732 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.81 -62.05 1.54 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.811 0.339 . . . . 0.0 111.212 -179.686 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -69.34 -22.12 63.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.021 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 153' ' ' PHE . . . . . 0.454 ' CZ ' ' CG ' ' A' ' 157' ' ' MET . 19.4 t80 -66.54 -30.89 71.31 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.793 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' A' ' 150' ' ' TYR . 11.7 mt -57.75 -30.17 65.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.047 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -86.75 -28.38 23.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.999 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . 0.403 ' CE1' HG11 ' A' ' 160' ' ' VAL . 17.9 t80 -76.45 -36.19 58.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.827 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 157' ' ' MET . . . . . 0.454 ' CG ' ' CZ ' ' A' ' 153' ' ' PHE . 0.0 OUTLIER -82.47 -2.07 52.22 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.367 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 5.9 tttt -89.6 49.96 1.83 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.821 0.344 . . . . 0.0 110.994 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 103.99 76.93 1.14 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.377 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . 0.403 HG11 ' CE1' ' A' ' 156' ' ' PHE . 4.4 t -82.57 -56.48 5.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.847 0.356 . . . . 0.0 110.947 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.913 -179.991 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 162' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 163' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 17.9 ptp . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.914 0.387 . . . . 0.0 111.188 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 5.8 m -109.09 -34.93 2.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.031 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.6 ttt85 -85.97 163.0 18.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -153.74 -172.95 4.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 39.3 mtt -72.51 -64.27 0.99 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.948 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.2 mttt 61.19 103.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.91 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -86.96 79.59 8.7 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.864 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -104.5 -42.85 5.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.844 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -101.84 133.27 46.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.862 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.29 102.11 12.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.941 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -109.88 62.81 0.28 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.483 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.06 138.75 39.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.86 0.362 . . . . 0.0 111.013 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 57.1 p -101.65 -76.51 0.57 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.926 -179.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -77.2 -44.95 28.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.583 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -60.44 -23.4 64.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.659 179.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.86 -14.92 60.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.276 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 55.4 mt -52.42 -24.04 7.11 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.565 -179.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.5 t -62.29 -46.12 90.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.855 0.359 . . . . 0.0 110.87 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -63.98 -31.98 73.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.82 -27.68 62.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.006 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.417 ' CZ ' ' HA ' ' A' ' 149' ' ' ASP . 47.6 t80 -59.97 -54.27 48.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.054 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 1.2 mtp85 -56.59 -35.11 67.86 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.806 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 18.0 mmm -59.75 -23.26 63.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.958 179.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -94.11 -20.33 20.0 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.039 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -84.5 149.07 26.18 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.793 0.33 . . . . 0.0 110.888 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.4 mmtm -99.31 -33.81 10.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.873 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 12.2 p-10 -106.86 -18.32 13.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.191 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 66.82 63.6 0.48 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.856 0.36 . . . . 0.0 111.049 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -108.7 -25.81 10.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.932 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 125.21 -8.14 8.0 Favored Glycine 0 CA--C 1.518 0.268 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.781 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.421 ' CD2' ' HB3' ' A' ' 149' ' ' ASP . 13.9 m-85 -143.21 145.96 33.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.831 0.348 . . . . 0.0 110.781 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 4.6 mt -128.29 158.1 40.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.147 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -138.88 -176.87 4.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.848 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 5.5 tt -62.01 -27.65 69.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.03 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -67.4 -59.26 3.54 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.88 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -62.86 -49.95 72.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.954 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 22.3 tp -52.57 -24.76 8.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.359 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.408 ' HA ' HD22 ' A' ' 121' ' ' LEU . 9.7 tttp -76.23 -25.54 55.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.995 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.406 HD13 HG21 ' A' ' 119' ' ' ILE . 30.4 mt -76.26 -33.55 24.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.749 -179.488 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -82.59 -35.98 26.6 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 111.692 0.256 . . . . 0.0 111.692 -179.314 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.408 HD22 ' HA ' ' A' ' 118' ' ' LYS . 4.6 pp -76.8 -33.15 58.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.543 0.211 . . . . 0.0 111.465 -179.51 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -63.18 -41.04 99.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.072 0.463 . . . . 0.0 110.525 179.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -48.5 -31.8 6.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.242 179.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 26.2 p -56.79 -176.71 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.57 179.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -114.32 17.97 18.59 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.667 -0.777 . . . . 0.0 112.64 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -101.56 -169.02 1.63 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.696 0.284 . . . . 0.0 110.791 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 68.2 p -119.76 108.96 15.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.817 0.342 . . . . 0.0 110.944 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 21.5 mm -104.71 141.13 20.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.039 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 67.8 p -105.05 154.72 19.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.938 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -58.94 -30.9 68.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.847 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -75.1 -32.88 61.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.897 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -67.54 -42.73 82.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.029 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 19.0 mt -66.29 -26.37 37.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.365 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -72.05 -31.18 65.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -80.56 -30.49 37.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.999 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.2 -49.07 79.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.986 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 45.8 mmm -75.4 -23.02 57.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.159 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 4.4 tptt -56.79 -67.06 0.34 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.785 0.326 . . . . 0.0 111.112 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 29.1 p-10 -59.8 -19.25 49.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.627 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -86.94 -37.9 8.23 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.469 -0.872 . . . . 0.0 112.294 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -67.55 97.27 0.58 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.857 0.361 . . . . 0.0 110.926 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 6.8 mmtm -81.92 -23.9 35.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.962 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 19.0 p-10 -104.45 -7.95 19.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.156 179.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 10.5 m120 62.46 39.11 12.19 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-O 120.758 0.313 . . . . 0.0 111.162 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 50.0 p-10 -97.07 13.92 27.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.231 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 68.66 23.6 75.47 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.778 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 8.2 mtm-85 -157.19 -171.11 3.49 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.801 0.334 . . . . 0.0 111.039 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . 0.478 HD12 HG22 ' A' ' 148' ' ' ILE . 47.1 mt -148.68 141.81 18.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.857 179.82 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . 0.421 ' HB3' ' CD2' ' A' ' 111' ' ' TYR . 4.5 p30 -134.44 169.91 16.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.005 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 150' ' ' TYR . . . . . 0.416 ' CE1' HD23 ' A' ' 154' ' ' LEU . 48.7 t80 -60.03 -24.29 64.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.298 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.62 -61.08 1.97 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.93 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -74.08 -22.81 59.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.182 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 27.8 t80 -63.51 -35.09 79.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.814 0.34 . . . . 0.0 110.93 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . 0.416 HD23 ' CE1' ' A' ' 150' ' ' TYR . 2.9 mm? -64.54 -24.73 67.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.109 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -87.92 -36.09 17.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.879 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . 0.431 ' CD1' HG13 ' A' ' 160' ' ' VAL . 14.5 t80 -58.99 -34.95 72.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.8 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.44 15.63 17.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.092 179.721 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 8.0 tttp -92.03 34.25 1.02 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.269 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 100.21 80.46 1.52 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.563 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . 0.431 HG13 ' CD1' ' A' ' 156' ' ' PHE . 0.8 OUTLIER -112.84 -35.25 2.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.834 0.35 . . . . 0.0 111.192 179.883 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 162' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 163' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 6.7 mtt . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.817 0.341 . . . . 0.0 111.231 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 21.4 t 63.37 99.54 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.154 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -112.22 -64.12 1.34 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 1.7 m -118.77 158.54 25.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.943 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -168.48 33.83 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.841 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 51.2 tttt -122.01 -43.87 2.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.963 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -59.82 -29.29 68.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.948 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -60.07 -73.0 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.894 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.59 154.43 22.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.916 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 11.8 pttt -118.81 137.65 53.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.964 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -70.15 141.21 33.85 Favored Glycine 0 N--CA 1.453 -0.214 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.21 179.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -70.42 52.02 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.773 0.321 . . . . 0.0 111.822 -179.356 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 16.4 p -100.55 -164.01 1.08 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.614 -0.266 . . . . 0.0 110.496 179.692 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -51.53 -26.06 7.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.842 0.353 . . . . 0.0 110.962 179.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -60.33 -30.06 69.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.058 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -91.07 20.63 4.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.475 -179.814 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 14.3 mt -75.68 -30.7 59.47 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.811 0.339 . . . . 0.0 110.9 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 42.6 t -60.5 -31.96 70.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.0 -35.78 72.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.949 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 14.7 mt -67.36 -29.12 68.58 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.945 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -58.65 -50.78 72.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.964 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 25.1 mtt180 -59.44 -31.5 69.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.949 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -67.27 -20.5 65.65 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.067 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -91.28 -27.87 18.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.721 0.296 . . . . 0.0 110.972 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.46 152.3 39.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.877 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 2.8 tptt -95.92 -40.05 9.49 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.013 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 12.2 p-10 -120.15 3.14 10.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.554 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 58.07 73.67 0.46 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.911 0.386 . . . . 0.0 111.1 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -111.7 -12.15 13.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.346 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 108.83 -8.82 34.17 Favored Glycine 0 C--N 1.332 0.324 0 C-N-CA 120.615 -0.802 . . . . 0.0 112.726 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.413 ' CD2' ' HB3' ' A' ' 149' ' ' ASP . 19.4 m-85 -151.09 156.51 41.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.798 0.332 . . . . 0.0 110.593 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 15.9 mt -128.12 155.81 39.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.188 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -139.05 -169.15 2.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.971 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -64.63 -38.43 90.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.11 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -61.24 -53.1 61.18 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.991 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -64.95 -55.79 17.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.915 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 27.2 tp -51.64 -27.9 12.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.254 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 16.6 tttm -72.22 -35.16 68.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.943 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 19.5 mt -74.93 -32.12 26.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.15 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 6.6 tmm? -67.67 -39.79 84.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.99 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -71.84 -19.92 61.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.229 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -65.3 -25.77 67.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.699 0.285 . . . . 0.0 110.828 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -56.26 -46.08 79.82 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.076 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 16.0 p -56.61 175.13 0.12 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.776 179.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -114.15 21.36 15.5 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.627 -0.797 . . . . 0.0 112.574 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -108.07 128.85 55.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.819 0.343 . . . . 0.0 110.754 -179.771 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 49.3 p -63.78 98.54 0.2 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.082 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 27.9 mm -99.08 160.23 3.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.87 179.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -109.33 155.38 21.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.851 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -59.17 -29.81 67.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.909 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -72.46 -31.47 65.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.928 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.81 -46.79 74.11 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.967 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 5.0 mt -62.84 -19.36 23.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.438 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -72.14 -30.21 64.8 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.799 0.333 . . . . 0.0 110.983 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -65.31 -37.37 86.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.846 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 1.3 mt -59.65 -49.22 78.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.826 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -67.31 -28.02 67.65 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.966 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -58.0 -71.46 0.11 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.091 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . 0.404 ' OD1' ' N ' ' A' ' 140' ' ' GLY . 30.1 p-10 -60.1 -22.12 62.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.427 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . 0.404 ' N ' ' OD1' ' A' ' 139' ' ' ASP . . . -78.23 -24.9 62.63 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.386 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 29.8 t0 -87.14 132.4 33.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.788 0.328 . . . . 0.0 110.896 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 3.1 mmtm -109.11 -26.14 10.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.024 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 20.1 p-10 -106.9 1.66 24.78 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.286 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 3.2 t30 61.85 20.73 11.7 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.284 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 20.9 p-10 -63.71 -39.61 94.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.991 0.424 . . . . 0.0 110.279 179.428 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 114.23 19.12 6.41 Favored Glycine 0 CA--C 1.518 0.243 0 C-N-CA 120.856 -0.687 . . . . 0.0 112.576 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 9.3 mtt-85 -154.23 172.47 17.57 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.811 0.338 . . . . 0.0 110.792 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 27.8 mm -126.55 141.13 46.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.134 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . 0.413 ' HB3' ' CD2' ' A' ' 111' ' ' TYR . 2.1 p30 -134.4 -176.13 4.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.021 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -66.02 -29.7 70.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.291 -179.654 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -77.94 -44.94 25.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.812 0.339 . . . . 0.0 111.001 -179.841 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -76.57 -12.98 60.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.444 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -81.69 -47.13 13.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.77 0.319 . . . . 0.0 111.054 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -55.29 -27.38 46.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.073 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -83.98 -31.26 25.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.013 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . 0.428 ' CE1' HG13 ' A' ' 160' ' ' VAL . 9.4 t80 -68.61 -35.81 77.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.109 -179.808 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.23 7.59 27.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.208 179.773 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 32.8 tttm -89.94 41.35 1.04 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.729 0.3 . . . . 0.0 111.243 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 104.81 87.31 1.99 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.78 179.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . 0.428 HG13 ' CE1' ' A' ' 156' ' ' PHE . 0.0 OUTLIER -114.1 30.17 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.908 0.385 . . . . 0.0 111.04 179.801 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.889 179.984 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 162' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 163' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 8.3 mtm . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 120.873 0.368 . . . . 0.0 111.102 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 6.0 m -141.85 113.05 3.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.186 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 73.6 mtt180 60.58 94.61 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.93 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 42.5 t -113.84 144.13 43.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.836 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 27.4 ttp -168.2 -63.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.891 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.79 -78.25 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.917 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -94.04 94.0 8.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.893 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 36.1 p-10 -66.86 -174.57 0.34 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.801 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.3 m -61.8 -38.85 89.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.91 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 20.6 mttp -62.25 159.7 14.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.942 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -99.78 -172.5 30.44 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.489 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.423 ' CB ' ' HB3' ' A' ' 96' ' ' GLU . 6.2 mtpt -100.06 127.89 46.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.862 0.363 . . . . 0.0 110.931 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -102.58 -81.73 0.49 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.252 -179.375 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -75.55 -30.4 59.7 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.884 0.374 . . . . 0.0 110.934 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -77.56 -13.28 59.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.948 179.663 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.423 ' HB3' ' CB ' ' A' ' 92' ' ' LYS . 0.6 OUTLIER -84.41 -26.25 28.45 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.102 -179.906 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 10.3 mt -67.72 -12.51 60.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.669 -179.674 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 96.8 p -71.46 -39.76 70.75 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.801 0.334 . . . . 0.0 111.002 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -75.66 -31.03 59.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.964 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 3.4 mt -68.83 -28.42 66.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.992 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.422 ' CZ ' ' HA ' ' A' ' 149' ' ' ASP . 77.2 t80 -59.83 -56.6 19.81 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.034 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.76 -31.42 64.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.859 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 65.4 mmm -64.5 -21.39 66.66 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.097 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -96.71 -24.58 15.89 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.97 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -79.4 153.06 29.99 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.996 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 5.2 mmtt -115.17 -50.91 2.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.846 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 30.6 m120 -75.05 -22.63 58.27 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.012 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 66.41 49.4 1.41 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.792 0.33 . . . . 0.0 111.024 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -101.14 -30.09 11.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.958 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 123.3 3.55 8.7 Favored Glycine 0 CA--C 1.519 0.303 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.918 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 26.6 m-85 -144.9 150.18 36.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.767 0.317 . . . . 0.0 110.819 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 17.2 mt -128.83 156.25 41.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.99 0.424 . . . . 0.0 111.19 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 24.5 p-10 -147.02 -177.01 5.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.966 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.1 -35.41 75.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.84 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -60.35 -52.04 66.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.845 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -72.96 -45.48 57.77 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.145 -179.659 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 11.4 tp -54.77 -42.07 71.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.504 -179.487 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.34 -26.18 68.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.318 -179.572 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 25.6 mt -74.66 -53.34 16.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.734 0.302 . . . . 0.0 111.138 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 7.6 ptm -57.66 -30.99 65.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.995 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 4.8 mp -68.2 -30.24 69.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.738 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -63.25 -23.95 67.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.728 179.636 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -57.18 -43.84 83.01 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.958 179.694 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 48.5 p -65.0 178.9 0.75 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.44 179.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -114.5 25.27 10.52 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.447 179.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -96.45 -174.46 3.05 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.851 0.358 . . . . 0.0 110.982 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 31.0 p -119.94 100.54 7.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.834 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 18.6 mt -112.85 147.68 16.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.155 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 1.8 t -112.8 163.87 14.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.775 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.68 -51.94 67.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.141 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.88 -26.95 27.36 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.179 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.94 -50.53 22.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.789 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 7.1 mt -62.02 -18.43 19.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.357 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -63.14 -53.62 50.6 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.853 0.359 . . . . 0.0 110.967 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -64.67 -22.06 66.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.251 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 5.4 mt -63.16 -56.55 15.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.921 0.391 . . . . 0.0 110.888 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 37.0 mmm -74.46 -21.75 59.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.086 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 17.7 mttt -46.93 -61.39 1.89 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.497 -179.733 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . 0.44 ' OD2' ' CE1' ' A' ' 156' ' ' PHE . 0.0 OUTLIER -62.22 -37.26 84.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.78 0.324 . . . . 0.0 110.36 -179.777 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . 0.467 ' CA ' ' CD2' ' A' ' 156' ' ' PHE . . . -66.11 -26.73 72.51 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.541 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 52.6 t0 -73.31 107.9 5.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.9 0.381 . . . . 0.0 110.982 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 13.7 mmtp -106.27 -31.8 8.47 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.745 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 13.6 p-10 -91.59 -1.44 57.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.222 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 61.52 28.01 17.39 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.316 179.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 42.3 p-10 -89.92 -27.39 19.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.944 0.402 . . . . 0.0 110.774 179.659 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 98.22 28.31 8.2 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.554 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 57.3 mtt180 -148.17 -176.48 5.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.788 0.327 . . . . 0.0 111.025 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 30.7 mm -144.86 142.36 23.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.991 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . 0.422 ' HA ' ' CZ ' ' A' ' 101' ' ' PHE . 21.9 p30 -134.46 -175.71 3.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.847 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 150' ' ' TYR . . . . . 0.407 ' CE1' HD21 ' A' ' 154' ' ' LEU . 67.3 t80 -57.78 -24.34 56.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.233 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 46.7 m-20 -81.24 -45.76 15.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.931 0.396 . . . . 0.0 110.872 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -71.21 -28.5 64.25 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.048 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -72.39 -39.04 68.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.886 0.374 . . . . 0.0 110.958 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . 0.407 HD21 ' CE1' ' A' ' 150' ' ' TYR . 1.3 mm? -58.78 -29.49 66.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.946 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -88.74 -33.11 17.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.932 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . 0.467 ' CD2' ' CA ' ' A' ' 140' ' ' GLY . 1.0 OUTLIER -59.38 -40.5 86.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.831 -179.895 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.12 13.03 20.13 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.09 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 6.4 ttpp -92.23 36.05 0.99 Allowed 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.247 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 99.08 79.17 1.44 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.655 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -113.54 30.8 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.771 0.32 . . . . 0.0 111.075 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.884 -179.996 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 162' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 163' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 1.9 mtm . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.89 0.376 . . . . 0.0 111.09 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 9.5 p -170.04 157.88 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.055 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.3 tpt180 -66.69 -62.97 1.18 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 60.8 m -88.12 105.11 17.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 6.0 ttt -87.41 -33.34 19.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.896 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 11.4 tttt 61.94 117.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.016 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -60.02 171.71 0.92 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -92.83 -77.95 0.43 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.924 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 2.9 p -54.24 88.06 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.499 -179.649 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.8 mtpm? -103.96 -172.76 2.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.705 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -66.44 101.39 0.62 Allowed Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.608 -0.806 . . . . 0.0 112.535 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.438 ' CB ' ' HB3' ' A' ' 96' ' ' GLU . 22.8 mttt -101.58 142.87 32.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.736 0.303 . . . . 0.0 110.935 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 57.8 p -101.13 -79.11 0.51 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.934 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -77.81 -41.1 38.36 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.62 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -63.52 -21.74 66.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.708 179.547 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.438 ' HB3' ' CB ' ' A' ' 92' ' ' LYS . 0.2 OUTLIER -77.31 -18.65 57.32 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.188 179.889 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 61.4 mt -55.73 -21.47 18.88 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.627 -179.679 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.8 t -62.3 -45.08 94.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.836 0.35 . . . . 0.0 110.845 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -63.27 -45.27 92.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.966 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.77 -26.06 63.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.203 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.423 ' CZ ' ' HA ' ' A' ' 149' ' ' ASP . 53.8 t80 -57.88 -53.33 59.44 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.064 -179.829 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -56.93 -34.62 68.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.961 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 3.9 mmt -61.54 -50.77 71.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.791 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -62.98 -25.27 68.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.095 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -80.51 151.26 29.3 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.921 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.06 -44.57 3.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.88 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 39.0 p30 -89.64 -19.21 25.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.193 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 67.64 40.54 2.5 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.043 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 34.4 p-10 -86.32 -15.49 40.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.263 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 112.35 -2.44 26.59 Favored Glycine 0 CA--C 1.518 0.231 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.797 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -150.18 160.74 43.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.8 0.333 . . . . 0.0 110.898 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 13.6 mt -126.96 145.88 33.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.656 179.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -131.7 -177.52 4.46 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.971 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -53.02 -34.29 55.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.147 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.36 -56.0 8.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.926 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.31 -45.73 89.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 16.6 tp -55.26 -39.48 69.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.161 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.25 -26.98 66.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.98 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 29.0 mm -66.6 -38.17 81.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.996 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 8.2 tmm? -70.0 -41.17 74.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.945 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.85 -31.29 69.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.986 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 5.7 mm-40 -65.05 -27.14 68.59 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.7 179.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -57.06 -43.95 82.53 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.03 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 57.3 p -61.42 174.54 0.71 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.624 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -114.19 27.11 9.26 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.472 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -99.2 -168.97 1.69 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.846 0.355 . . . . 0.0 110.827 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 17.6 p -119.43 109.3 15.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 3.6 mp -112.22 141.77 26.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.191 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 15.9 p -97.62 161.98 13.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.894 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -59.73 -33.95 72.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.946 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -73.11 -31.04 64.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.836 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.53 -40.52 93.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.871 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 25.6 mm -67.3 -24.25 31.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.37 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -76.04 -30.22 58.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.035 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -67.93 -26.73 66.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.167 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 5.4 mt -68.13 -60.8 2.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.966 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 2.8 mmt -60.9 -28.0 68.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.023 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.62 -69.81 0.12 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.203 -179.795 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 29.3 p-10 -69.53 -20.84 63.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.604 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -73.17 -48.56 19.18 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.587 -0.816 . . . . 0.0 112.377 179.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -68.87 147.98 50.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.872 0.368 . . . . 0.0 111.032 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 25.5 mmtt -115.48 -13.41 11.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.403 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -113.86 9.94 17.64 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 116.693 -0.231 . . . . 0.0 111.385 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 55.56 26.9 9.63 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.73 0.3 . . . . 0.0 111.162 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -82.73 -30.2 29.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.801 179.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 99.84 27.5 7.88 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.748 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 3.9 mtt180 -144.08 179.01 7.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.806 0.336 . . . . 0.0 110.957 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 37.9 mm -146.09 144.21 20.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.907 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . 0.423 ' HA ' ' CZ ' ' A' ' 101' ' ' PHE . 3.1 p30 -138.01 -179.09 5.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 28.0 t80 -58.69 -26.58 64.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.092 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.49 -50.36 11.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.623 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -68.48 -27.4 66.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.954 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 153' ' ' PHE . . . . . 0.41 ' CE1' ' HG3' ' A' ' 157' ' ' MET . 12.6 t80 -71.24 -47.31 57.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.924 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.16 -31.78 69.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.851 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -81.51 -42.9 19.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.779 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -68.93 -29.61 67.9 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.917 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 157' ' ' MET . . . . . 0.41 ' HG3' ' CE1' ' A' ' 153' ' ' PHE . 10.7 mmt -89.71 3.87 51.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.319 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 3.4 tttp -91.05 45.11 1.23 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.852 0.358 . . . . 0.0 111.01 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 103.86 71.02 0.84 Allowed Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.34 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 5.3 t -69.28 -51.19 45.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.82 0.343 . . . . 0.0 111.002 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 -179.94 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 162' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 163' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 13.8 mmt . . . . . 0 N--CA 1.485 1.318 0 CA-C-O 120.839 0.352 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 11.2 p -115.15 -38.3 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.152 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 3.9 ttp180 -155.84 121.46 4.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 1.7 m 60.63 169.26 0.09 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 3.4 ttt -111.32 99.47 8.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.84 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -119.64 32.23 6.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.836 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -110.32 -77.34 0.59 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.04 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.1 p30 -112.49 31.18 6.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.017 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.37 -72.58 0.15 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.005 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.46 129.49 55.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.951 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -87.82 -177.23 47.99 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.583 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 33.5 mtmm -54.93 105.15 0.14 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.87 0.366 . . . . 0.0 111.1 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.51 -171.03 2.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.964 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -56.55 -23.86 43.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -58.57 -27.74 64.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.074 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -87.71 -0.8 57.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.645 -179.815 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.419 ' HB3' ' CE2' ' A' ' 153' ' ' PHE . 26.0 mt -58.01 -26.15 62.03 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.722 0.296 . . . . 0.0 111.215 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 21.7 p -57.2 -30.12 64.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.837 0.351 . . . . 0.0 111.159 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -73.12 -34.74 66.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.022 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.412 ' O ' ' HG3' ' A' ' 103' ' ' MET . 10.0 mt -69.47 -22.78 63.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.139 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -73.8 -42.35 61.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.403 -179.407 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.92 -53.0 63.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.881 0.372 . . . . 0.0 111.202 -179.489 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' MET . . . . . 0.412 ' HG3' ' O ' ' A' ' 100' ' ' LEU . 0.0 OUTLIER -56.98 -43.58 81.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 -179.9 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -62.77 -32.82 74.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -85.12 93.08 8.55 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.78 179.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 6.7 tptt -54.76 -47.05 74.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.942 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -74.39 -29.94 61.74 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 60.45 51.6 5.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.152 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -111.7 4.28 18.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.388 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 103.37 -15.58 53.74 Favored Glycine 0 C--N 1.332 0.351 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.757 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.411 ' CD2' ' HB3' ' A' ' 149' ' ' ASP . 13.3 m-85 -142.21 149.19 39.33 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.749 0.309 . . . . 0.0 110.838 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 25.7 mt -127.84 154.23 38.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.109 179.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 13.4 p-10 -135.45 -175.52 3.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.024 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 1.8 tp -59.24 -34.48 72.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.103 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.39 -53.85 51.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.81 -46.68 68.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.754 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 18.8 tp -55.72 -30.35 61.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.021 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.7 -30.73 70.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.949 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 20.7 mt -74.01 -36.59 45.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.121 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 3.6 tmm? -61.73 -39.05 90.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.873 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -72.65 -29.47 63.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.05 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 10.3 mm-40 -61.16 -25.4 66.98 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.894 179.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -56.69 -46.31 81.25 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.102 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 16.1 p -65.24 175.28 1.71 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.627 179.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -114.04 27.51 9.06 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.413 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -101.15 -173.71 2.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.749 0.309 . . . . 0.0 110.837 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 32.9 p -119.64 108.33 14.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.853 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 3.1 mp -112.41 143.19 22.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.094 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 63.9 p -90.98 155.94 18.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.935 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -66.53 -30.25 70.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.805 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.62 -31.86 60.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.95 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.52 -34.43 75.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.917 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 18.5 mt -72.09 -20.49 20.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.251 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -67.93 -28.5 67.54 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.92 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -73.64 -26.29 60.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.054 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.48 -46.48 89.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.853 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.67 -28.68 64.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.023 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -53.76 -66.9 0.31 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.151 -179.762 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . 0.416 ' OD1' ' N ' ' A' ' 140' ' ' GLY . 17.0 p-10 -68.17 -34.24 75.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.337 -179.806 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . 0.416 ' N ' ' OD1' ' A' ' 139' ' ' ASP . . . -66.81 -36.75 91.62 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.619 -0.801 . . . . 0.0 112.173 179.697 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 55.7 t0 -73.7 130.52 40.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.957 0.408 . . . . 0.0 110.88 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . 0.408 ' HD2' ' N ' ' A' ' 142' ' ' LYS . 0.0 OUTLIER -111.64 -24.67 9.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.081 -179.825 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 23.1 p-10 -105.82 5.53 30.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.265 179.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 19.2 m-20 58.49 29.2 18.01 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.731 0.3 . . . . 0.0 111.108 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 37.7 p-10 -84.8 -0.35 53.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.408 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 72.81 24.12 76.64 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.569 -0.824 . . . . 0.0 112.693 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 15.9 mtt180 -152.9 -169.06 3.22 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.749 0.309 . . . . 0.0 110.85 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . 0.429 HG21 HD11 ' A' ' 148' ' ' ILE . 33.1 mt -148.26 138.25 16.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.245 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . 0.411 ' HB3' ' CD2' ' A' ' 111' ' ' TYR . 9.0 p-10 -134.06 -177.05 4.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.787 179.779 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 66.3 t80 -64.46 -27.09 68.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.58 -179.486 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -67.21 -61.46 1.91 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.786 0.327 . . . . 0.0 110.986 -179.647 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -76.46 -6.64 52.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.549 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 153' ' ' PHE . . . . . 0.419 ' CE2' ' HB3' ' A' ' 97' ' ' LEU . 16.9 t80 -76.33 -48.52 19.71 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-O 120.786 0.327 . . . . 0.0 110.498 179.703 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.25 -28.99 67.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -83.97 -37.55 22.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.799 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . 0.414 ' CG ' ' HA2' ' A' ' 140' ' ' GLY . 12.5 t80 -66.83 -36.85 83.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.763 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.24 6.72 31.81 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.103 179.721 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -91.02 43.31 1.14 Allowed 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.824 0.345 . . . . 0.0 111.094 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 105.0 87.73 2.01 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.671 179.693 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -113.01 -34.51 2.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.812 0.339 . . . . 0.0 111.067 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.914 179.933 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 162' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 163' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.888 0.375 . . . . 0.0 111.168 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 16.1 t 61.22 29.11 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.138 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.67 -177.45 0.66 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.863 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 16.9 m -142.03 164.59 29.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.927 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -173.53 174.11 3.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.832 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 24.4 mttt 61.25 31.48 19.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.989 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -102.81 108.19 19.32 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -102.66 105.0 15.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.996 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 42.9 p -93.24 88.02 5.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.754 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 45.2 mtpt -59.67 96.53 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.04 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -77.96 160.3 48.28 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.35 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 3.0 mttp -69.77 46.3 0.07 Allowed 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 -179.407 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 16.5 p -101.55 -160.31 0.78 Allowed 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 110.234 -0.284 . . . . 0.0 110.234 179.656 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -60.01 -19.28 51.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.828 0.347 . . . . 0.0 110.807 179.386 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.14 -29.09 65.92 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.174 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.58 -19.08 50.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.302 -179.832 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 10.9 mt -52.51 -26.71 13.79 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.811 0.339 . . . . 0.0 111.218 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.4 t -71.12 -39.37 72.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.922 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 57.2 m-20 -60.46 -45.88 92.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.903 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.4 -24.75 67.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.064 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.437 ' CE2' ' HA ' ' A' ' 149' ' ' ASP . 55.1 t80 -58.62 -54.26 49.01 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.852 0.358 . . . . 0.0 111.198 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.78 -33.0 66.2 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.892 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 87.1 mtp -62.64 -20.75 65.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.95 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -89.87 -22.11 22.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.1 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -79.21 149.86 31.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.842 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.54 -36.82 8.65 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.92 -179.853 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 9.2 p-10 -120.0 6.31 10.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.56 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 56.1 75.34 0.34 Allowed 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.797 0.332 . . . . 0.0 111.176 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 16.6 p-10 -111.85 -19.53 12.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.237 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 112.17 -7.61 27.01 Favored Glycine 0 CA--C 1.519 0.299 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.708 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.41 ' CD2' ' HB3' ' A' ' 149' ' ' ASP . 19.5 m-85 -149.32 158.86 44.53 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.731 0.301 . . . . 0.0 110.548 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 4.1 mt -127.06 146.98 32.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.98 0.419 . . . . 0.0 111.081 179.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -136.29 -177.41 4.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.981 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 1.5 mt -58.28 -30.92 66.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.963 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.64 -55.72 21.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.001 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -69.79 -46.38 65.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.865 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 11.7 tp -52.75 -28.53 22.62 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.158 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 5.3 tttt -75.98 -30.25 58.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.841 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 44.9 mt -69.64 -42.82 80.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.135 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 5.4 ptm -68.84 -31.15 69.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.862 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.03 -30.0 70.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.796 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 10.0 mm100 -56.76 -23.43 42.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.759 179.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -55.55 -41.91 73.91 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.025 179.697 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 29.8 p -59.4 158.46 9.43 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.682 179.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -78.39 -51.54 5.6 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.555 -0.831 . . . . 0.0 112.302 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.79 -179.67 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.868 0.366 . . . . 0.0 111.228 -179.792 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 81.6 p -111.12 124.62 52.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.95 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 3.5 mp -97.22 161.11 2.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.001 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 4.3 m -107.13 158.45 17.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.851 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.71 -29.42 68.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.838 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -78.34 -29.1 47.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.998 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -70.57 -33.1 70.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.998 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 21.7 mt -76.64 -14.82 14.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.478 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.54 -56.19 10.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.904 0.383 . . . . 0.0 111.055 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -57.63 -22.2 44.01 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.273 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.62 -50.3 74.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.845 0.355 . . . . 0.0 111.047 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.38 -16.52 60.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.372 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 1.4 tmtt? -56.04 -73.08 0.06 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.799 0.333 . . . . 0.0 111.195 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 25.7 p-10 -57.29 -22.82 44.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.539 -179.669 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -85.75 -22.7 49.06 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.612 -0.804 . . . . 0.0 112.624 179.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -84.23 132.44 34.65 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.82 0.343 . . . . 0.0 110.988 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -116.38 -20.22 9.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.35 -179.844 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 20.3 p-10 -107.15 1.55 24.2 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-O 120.691 0.282 . . . . 0.0 111.443 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 18.0 m-20 61.37 28.92 18.26 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.736 0.303 . . . . 0.0 111.138 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 40.0 p-10 -85.94 -30.59 22.68 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.039 0.447 . . . . 0.0 110.555 179.692 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 104.01 20.66 10.3 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.566 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 17.3 mtt85 -142.83 -174.22 4.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.931 0.396 . . . . 0.0 110.656 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 39.5 mt -145.2 138.44 21.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.055 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . 0.437 ' HA ' ' CE2' ' A' ' 101' ' ' PHE . 4.7 p30 -134.14 169.43 17.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.76 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -58.33 -26.61 63.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.544 -179.593 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.76 -61.55 1.74 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.751 0.31 . . . . 0.0 111.168 -179.62 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -73.57 -15.38 61.29 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.517 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -70.82 -32.43 69.49 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.833 0.349 . . . . 0.0 110.873 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -66.5 -26.32 67.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.008 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -85.35 -33.28 22.08 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.8 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . 0.414 ' CD1' HG13 ' A' ' 160' ' ' VAL . 11.4 t80 -61.83 -26.81 68.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.817 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -97.59 16.76 19.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.151 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -91.59 32.53 1.08 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.407 -179.717 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 102.21 75.38 1.1 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.594 -0.812 . . . . 0.0 112.699 179.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . 0.414 HG13 ' CD1' ' A' ' 156' ' ' PHE . 0.7 OUTLIER -114.21 30.9 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.858 0.361 . . . . 0.0 111.138 179.901 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.878 179.963 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 162' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 163' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 1.7 ptm . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.803 0.335 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 27.4 t -106.56 113.52 43.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.031 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 4.8 ttt180 60.28 82.55 0.16 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.894 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 81.5 m -66.42 -32.92 74.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.845 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 24.8 ttt -70.44 128.78 37.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.839 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -136.93 -53.8 0.71 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -96.71 172.37 7.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.891 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -96.33 -177.69 4.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.29 166.38 5.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.838 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -107.89 39.13 2.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.877 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -74.77 127.27 9.45 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.377 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.496 ' HA ' ' HG3' ' A' ' 96' ' ' GLU . 41.2 mttt -75.45 71.6 2.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.856 0.36 . . . . 0.0 110.932 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 10.2 p -100.05 -161.86 0.9 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.968 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -57.94 -38.15 75.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.365 -179.672 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -53.6 -28.69 33.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.101 -179.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.496 ' HG3' ' HA ' ' A' ' 92' ' ' LYS . 6.2 mm-40 -91.44 23.7 3.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.252 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 9.7 mt -61.2 -24.28 66.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.697 0.284 . . . . 0.0 111.12 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.9 -32.7 71.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.881 0.372 . . . . 0.0 110.906 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -75.67 -25.1 56.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.049 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.418 ' O ' ' CG ' ' A' ' 103' ' ' MET . 0.7 OUTLIER -84.28 -14.63 49.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.44 -179.773 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.421 ' CE2' ' HA ' ' A' ' 149' ' ' ASP . 38.5 t80 -74.47 -33.69 62.94 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 111.855 0.317 . . . . 0.0 111.855 -179.155 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.89 -46.34 89.64 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 111.822 0.305 . . . . 0.0 111.822 -179.061 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' MET . . . . . 0.418 ' CG ' ' O ' ' A' ' 100' ' ' LEU . 4.4 ptp -54.52 -43.39 71.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.86 0.362 . . . . 0.0 111.022 -179.643 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -58.83 -30.62 67.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.835 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -78.92 150.42 32.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.814 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 2.9 tptp -95.45 -39.9 9.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.975 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 21.4 p30 -120.03 12.71 12.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.382 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 53.51 74.52 0.31 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.812 0.339 . . . . 0.0 111.236 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -111.5 -24.93 9.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.133 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 113.65 -3.47 24.66 Favored Glycine 0 CA--C 1.518 0.227 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.844 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.43 ' CD2' ' HB3' ' A' ' 149' ' ' ASP . 32.6 m-85 -147.42 153.53 39.71 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.733 0.301 . . . . 0.0 110.653 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.404 HD13 ' CZ ' ' A' ' 101' ' ' PHE . 2.0 mt -127.68 151.1 34.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.9 0.381 . . . . 0.0 111.232 179.826 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -143.18 -177.32 5.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.8 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -58.08 -22.83 52.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.172 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 58.9 mt-10 -67.26 -59.02 3.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.771 0.32 . . . . 0.0 111.046 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -71.98 -37.18 69.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.959 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 10.9 tp -56.02 -41.83 75.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.248 -179.743 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.0 -28.27 67.28 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.14 -179.759 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 21.6 mt -74.87 -52.06 20.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.173 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 7.2 ptm -59.45 -32.68 70.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.008 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -67.75 -28.28 67.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.032 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -66.02 -25.64 67.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.702 179.718 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -57.98 -46.78 84.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.981 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 44.7 p -57.98 171.83 0.48 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.648 179.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -114.82 19.36 15.94 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.541 179.675 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -91.29 -168.46 2.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.77 0.319 . . . . 0.0 110.985 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 77.2 p -119.82 97.56 5.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.821 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 3.0 mp -112.14 145.02 18.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.166 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 1.3 t -102.78 162.95 12.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.868 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.3 -29.65 70.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.945 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.27 -30.42 60.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.001 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -66.68 -48.74 68.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.007 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 5.2 mt -60.95 -24.66 33.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.238 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.55 -29.59 62.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.904 0.383 . . . . 0.0 111.001 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -77.37 -31.21 54.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.95 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.73 -45.39 89.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.986 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 1.8 mtp -71.3 -20.95 62.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.148 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.61 -70.23 0.1 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.148 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 23.3 p-10 -63.84 -25.97 68.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.315 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -78.09 -18.44 76.62 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.576 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 29.6 t0 -98.72 85.19 3.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.824 0.345 . . . . 0.0 110.997 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 6.6 mmtt -81.95 -20.58 38.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.091 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -91.77 -21.08 20.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.945 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 71.41 33.04 1.99 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.982 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 16.8 p-10 -94.91 16.4 16.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.167 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 64.08 15.45 58.46 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.949 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 20.3 mtm180 -156.03 -175.16 5.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.888 0.375 . . . . 0.0 110.986 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 46.6 mt -141.87 143.0 27.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.123 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . 0.43 ' HB3' ' CD2' ' A' ' 111' ' ' TYR . 50.6 p-10 -135.67 -171.98 2.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.825 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 24.1 t80 -63.26 -24.33 67.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.337 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -80.32 -48.73 12.55 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.982 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -71.49 -24.03 61.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.164 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -81.52 -31.19 32.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.868 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.39 -36.22 80.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.892 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -83.72 -30.96 26.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.735 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . 0.421 ' CD1' HG13 ' A' ' 160' ' ' VAL . 13.5 t80 -63.2 -40.38 97.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.885 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 2.7 mmt -88.84 8.2 30.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.238 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.53 40.57 1.04 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.697 0.284 . . . . 0.0 111.108 -179.799 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 104.29 87.32 1.99 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.625 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . 0.421 HG13 ' CD1' ' A' ' 156' ' ' PHE . 0.0 OUTLIER -114.05 -36.63 2.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.759 0.314 . . . . 0.0 111.108 179.788 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.852 179.883 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 162' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 163' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 9.2 ttm . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.853 0.359 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 13.3 t 59.74 34.25 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.996 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 11.6 ttm180 -173.77 144.77 1.1 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 1.7 m 60.2 169.8 0.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 15.6 mtt 64.93 -77.12 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.917 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 8.7 mttt -57.65 -178.64 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.911 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -108.52 133.43 52.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.912 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -86.54 -61.45 1.73 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.83 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 49.0 m -71.31 177.6 3.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.974 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 20.0 mttm -72.42 -171.03 0.72 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.875 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.423 ' O ' ' N ' ' A' ' 93' ' ' THR . . . -88.69 -165.84 41.67 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.58 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.44 ' HB2' ' HB3' ' A' ' 96' ' ' GLU . 1.5 pttt -62.44 75.17 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.764 0.316 . . . . 0.0 111.296 -179.734 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.423 ' N ' ' O ' ' A' ' 91' ' ' GLY . 1.2 p -102.78 -88.0 0.41 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.229 -179.569 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -82.54 -27.53 31.6 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.851 0.358 . . . . 0.0 111.032 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -76.56 -9.36 58.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.991 179.675 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.44 ' HB3' ' HB2' ' A' ' 92' ' ' LYS . 0.5 OUTLIER -89.29 -27.98 20.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.088 -179.82 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 72.4 mt -69.46 -14.81 63.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.568 -179.717 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 11.7 t -72.39 -42.16 65.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.761 0.315 . . . . 0.0 110.989 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.98 -27.83 63.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.991 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -78.67 -28.6 45.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.039 -179.824 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.419 ' CZ ' ' HA ' ' A' ' 149' ' ' ASP . 79.2 t80 -62.76 -54.45 38.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.008 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -54.2 -37.5 64.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.912 0.387 . . . . 0.0 110.855 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 61.1 mtt -54.74 -30.53 56.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -84.65 -22.44 29.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.966 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.56 151.23 24.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.913 0.387 . . . . 0.0 110.753 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 6.2 tptm -103.66 -37.41 7.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.846 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 18.5 p-10 -109.36 -12.58 14.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.283 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 64.22 60.05 1.0 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.954 0.407 . . . . 0.0 111.101 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -100.27 -23.74 14.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.046 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 125.32 -2.15 8.26 Favored Glycine 0 CA--C 1.519 0.303 0 C-N-CA 120.619 -0.801 . . . . 0.0 112.817 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.445 ' CD2' ' HB3' ' A' ' 149' ' ' ASP . 54.1 m-85 -151.78 156.38 40.11 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.951 0.405 . . . . 0.0 110.81 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 2.2 mt -127.3 148.84 32.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.699 179.533 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -133.36 -175.17 3.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.972 -179.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.71 -32.95 67.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.089 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -66.34 -50.79 62.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.961 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -71.99 -48.15 46.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.92 0.391 . . . . 0.0 110.889 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 15.7 tp -51.29 -26.52 7.53 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.32 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.4 ' HA ' ' CD2' ' A' ' 121' ' ' LEU . 2.7 tttt -76.84 -31.68 57.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.032 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 33.9 mt -76.99 -41.56 31.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.863 -179.386 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.37 -37.15 86.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.554 -0.293 . . . . 0.0 111.701 -179.236 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.4 ' CD2' ' HA ' ' A' ' 118' ' ' LYS . 3.5 pp -67.53 -19.75 65.33 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.58 0.228 . . . . 0.0 111.383 -179.745 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -57.8 -24.02 55.28 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.79 0.329 . . . . 0.0 110.871 179.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -55.14 -42.3 72.87 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.042 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 11.9 p -59.5 159.44 8.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.705 179.694 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -77.27 -51.07 6.31 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.499 -0.858 . . . . 0.0 112.322 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -58.89 174.38 0.36 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.901 0.381 . . . . 0.0 111.17 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 1.7 p -111.83 124.83 53.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.971 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 26.1 mm -87.49 160.08 2.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.069 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 12.5 t -115.29 166.62 11.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.859 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.97 -31.56 67.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.917 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -69.76 -42.94 73.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.887 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -66.76 -37.41 84.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.072 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 9.1 mt -69.65 -33.86 58.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.081 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -68.44 -55.23 12.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.939 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.11 -25.47 68.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.244 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.9 -52.22 65.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.16 -179.795 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 6.0 ttm -74.63 -19.01 60.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.33 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.72 -70.96 0.13 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.766 0.317 . . . . 0.0 111.106 -179.835 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 24.8 p-10 -55.92 -21.82 22.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.732 -179.693 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -87.71 -29.2 21.88 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.613 -0.803 . . . . 0.0 112.359 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -86.08 113.78 22.42 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.907 0.384 . . . . 0.0 110.915 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -106.66 -13.04 15.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.268 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -94.45 -10.69 31.59 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.72 0.295 . . . . 0.0 111.329 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 15.8 m-20 63.58 30.25 15.07 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 120.784 0.326 . . . . 0.0 110.924 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 40.0 p-10 -102.71 13.33 34.7 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.281 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 64.67 32.91 85.78 Favored Glycine 0 C--N 1.33 0.23 0 C-N-CA 120.884 -0.674 . . . . 0.0 113.199 179.435 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . 0.427 ' HD2' ' CD2' ' A' ' 111' ' ' TYR . 0.8 OUTLIER -160.88 179.71 8.26 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.981 0.42 . . . . 0.0 111.248 179.768 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . 0.413 HG23 HD12 ' A' ' 148' ' ' ILE . 47.0 mt -138.94 155.48 27.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.885 179.737 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . 0.445 ' HB3' ' CD2' ' A' ' 111' ' ' TYR . 6.7 p30 -148.8 168.74 22.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.071 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 28.6 t80 -58.73 -24.13 61.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.298 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -70.05 -59.22 3.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.149 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -79.98 -11.67 59.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.476 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 153' ' ' PHE . . . . . 0.411 ' CE1' ' HG2' ' A' ' 157' ' ' MET . 11.4 t80 -75.05 -32.12 61.47 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.825 0.345 . . . . 0.0 110.82 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.27 -28.84 69.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.999 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -86.9 -26.86 23.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.01 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . 0.419 ' CZ ' HG11 ' A' ' 160' ' ' VAL . 12.9 t80 -76.66 -29.91 56.57 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.809 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 157' ' ' MET . . . . . 0.411 ' HG2' ' CE1' ' A' ' 153' ' ' PHE . 1.5 mmt -83.32 -1.68 53.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.361 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 8.0 mtmm -88.85 49.72 1.83 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.918 0.389 . . . . 0.0 110.926 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 103.92 77.37 1.17 Allowed Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.403 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . 0.419 HG11 ' CZ ' ' A' ' 156' ' ' PHE . 2.2 t -79.42 -62.75 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.791 0.329 . . . . 0.0 111.081 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.931 179.953 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 162' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 163' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.844 0.354 . . . . 0.0 111.192 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 21.4 t -112.38 155.12 13.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.146 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? 62.87 -79.63 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.081 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 1.8 m -59.39 150.54 26.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.942 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 56.0 mtt 60.37 90.57 0.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.988 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 23.1 mttt -147.2 72.89 1.27 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.842 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -100.07 36.72 1.78 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.901 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -102.15 -46.65 4.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.918 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 69.2 m -107.08 32.08 4.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.02 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.59 146.72 42.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.936 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -104.61 143.42 15.66 Favored Glycine 0 C--N 1.33 0.232 0 C-N-CA 120.642 -0.79 . . . . 0.0 112.495 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 3.3 mmtm -59.82 130.62 47.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.83 0.347 . . . . 0.0 110.915 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 12.2 t -100.86 -165.99 1.27 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -53.97 -24.95 18.44 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.076 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.25 -27.12 54.0 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.941 179.82 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.04 1.43 40.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.343 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 41.3 mt -58.95 -28.62 66.45 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.768 0.318 . . . . 0.0 111.013 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.403 ' HA ' ' CE1' ' A' ' 150' ' ' TYR . 23.3 p -65.45 -33.47 76.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.976 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -74.99 -29.65 60.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.023 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 8.4 mt -75.21 -28.26 59.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.049 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.421 ' CZ ' ' HA ' ' A' ' 149' ' ' ASP . 56.4 t80 -64.6 -50.07 68.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.089 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -54.64 -36.16 64.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.044 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -60.68 -50.69 72.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.72 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -60.63 -28.2 68.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.037 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.74 141.9 51.46 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.822 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 15.9 tptp -82.78 -49.95 9.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.068 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 45.9 p30 -120.05 17.03 12.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.312 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 50.81 72.13 0.37 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.831 0.348 . . . . 0.0 111.33 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.6 ' OD1' 'CA ' ' A' ' 162' ' ' ' CA' . 7.4 p-10 -111.75 -2.78 15.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.498 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 97.79 -13.43 63.83 Favored Glycine 0 C--N 1.331 0.282 0 C-N-CA 120.576 -0.821 . . . . 0.0 112.709 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.406 ' CD2' ' HB3' ' A' ' 149' ' ' ASP . 23.4 m-85 -145.22 153.5 41.39 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.709 0.29 . . . . 0.0 110.729 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 8.4 mt -127.8 151.43 34.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.947 0.403 . . . . 0.0 111.131 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -133.05 -176.72 4.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.984 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.84 -44.25 97.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.987 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.12 -47.02 86.79 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.916 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -71.23 -51.06 26.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.798 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 12.5 tp -55.2 -31.14 61.19 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.085 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 15.4 tttt -67.34 -27.37 67.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.015 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 18.4 mt -72.86 -22.98 20.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.362 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 22.3 ttp -82.2 -34.25 29.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.292 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -73.34 -32.88 64.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.239 -179.668 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -64.43 -39.64 94.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.995 0.426 . . . . 0.0 110.56 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -48.7 -37.38 18.51 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.052 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 24.8 p -56.23 177.52 0.06 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.424 179.647 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -113.86 18.48 19.35 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.472 -0.87 . . . . 0.0 112.615 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -101.73 -169.4 1.68 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.748 0.308 . . . . 0.0 110.676 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 68.4 p -119.79 102.55 8.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.745 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 1.7 mp -112.46 152.18 14.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.231 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 1.4 t -105.87 159.88 15.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.849 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -59.92 -29.72 68.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.006 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.49 -30.98 65.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.926 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -69.03 -31.3 69.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.02 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 21.6 mm -70.59 -14.22 17.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.602 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -73.98 -36.53 64.56 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.747 0.308 . . . . 0.0 111.076 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.38 -26.07 67.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.136 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.1 -56.48 14.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.013 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 6.5 ttm -74.3 -20.55 60.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.23 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.21 -69.57 0.11 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.257 -179.851 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . 0.407 ' OD1' ' N ' ' A' ' 140' ' ' GLY . 26.9 p-10 -69.06 -24.43 64.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.432 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . 0.407 ' N ' ' OD1' ' A' ' 139' ' ' ASP . . . -77.08 -6.21 85.82 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.771 179.746 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 36.2 t0 -99.01 121.69 41.29 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.895 0.378 . . . . 0.0 111.024 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -113.34 -27.79 7.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.056 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 15.9 p30 -93.81 -13.15 27.65 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.233 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 70.22 29.86 3.58 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 120.865 0.364 . . . . 0.0 111.345 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 40.2 p-10 -89.75 -29.77 18.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.418 179.42 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 104.54 27.56 6.04 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.45 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 21.1 mtm180 -151.62 -178.24 6.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.964 0.412 . . . . 0.0 110.893 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 25.6 mt -140.12 135.7 37.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.103 179.65 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . 0.421 ' HA ' ' CZ ' ' A' ' 101' ' ' PHE . 4.8 p30 -134.39 172.55 12.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.845 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 150' ' ' TYR . . . . . 0.403 ' CE1' ' HA ' ' A' ' 98' ' ' SER . 11.2 t80 -59.91 -26.42 65.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.286 -179.783 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.5 -62.03 1.57 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.847 0.356 . . . . 0.0 111.022 -179.749 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -73.89 -18.95 60.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.328 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 153' ' ' PHE . . . . . 0.411 ' CE1' ' HG3' ' A' ' 157' ' ' MET . 8.4 t80 -68.18 -42.84 79.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.788 0.327 . . . . 0.0 110.762 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -55.32 -29.15 57.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.064 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -85.69 -33.4 21.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.755 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . 0.425 ' CE1' HG13 ' A' ' 160' ' ' VAL . 14.0 t80 -69.74 -29.11 66.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 157' ' ' MET . . . . . 0.411 ' HG3' ' CE1' ' A' ' 153' ' ' PHE . 0.9 OUTLIER -93.1 3.31 55.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.154 179.876 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 18.3 tttt -91.28 45.4 1.24 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.882 0.372 . . . . 0.0 111.016 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 104.11 69.39 0.78 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.676 -0.774 . . . . 0.0 112.381 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . 0.425 HG13 ' CE1' ' A' ' 156' ' ' PHE . 4.2 t -62.27 -30.74 49.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.797 0.332 . . . . 0.0 111.07 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.019 179.939 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 162' ' ' ' CA' . . . . . 0.6 'CA ' ' OD1' ' A' ' 109' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 163' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.822 0.344 . . . . 0.0 111.216 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 21.6 t 60.3 85.88 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.104 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.53 111.57 19.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.885 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER 66.04 -75.46 0.05 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.871 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 6.0 ptt? -130.94 -49.79 1.03 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.949 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 39.8 tttt 58.23 82.96 0.12 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.966 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.02 103.43 3.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -96.67 -22.77 16.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.139 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 19.6 t -106.54 156.24 18.77 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.969 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 26.6 mttt -104.1 87.37 2.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.87 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -109.45 38.23 3.42 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.385 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.407 ' CB ' ' HB3' ' A' ' 96' ' ' GLU . 11.3 mtmt -79.17 132.46 36.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.879 0.371 . . . . 0.0 110.903 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 75.9 p -101.1 -79.67 0.5 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.965 -179.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -74.94 -46.4 35.89 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.974 0.416 . . . . 0.0 110.472 179.653 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -57.96 -22.42 49.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.686 179.639 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.407 ' HB3' ' CB ' ' A' ' 92' ' ' LYS . 0.0 OUTLIER -78.43 -9.32 59.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.355 179.9 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.408 HD21 ' CE2' ' A' ' 153' ' ' PHE . 19.3 mt -51.22 -25.81 6.1 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.473 -179.749 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 23.0 t -63.44 -37.53 87.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.794 0.33 . . . . 0.0 110.99 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -68.03 -44.21 77.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.075 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.19 -23.92 67.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.115 -179.851 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.409 ' CZ ' ' HA ' ' A' ' 149' ' ' ASP . 63.3 t80 -63.83 -48.59 76.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.716 0.293 . . . . 0.0 111.098 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 17.1 mtp180 -56.49 -33.13 65.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.881 0.372 . . . . 0.0 111.01 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 2.3 mtt -59.77 -52.0 67.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.833 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -66.64 -22.13 66.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.126 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.18 144.5 32.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.82 0.343 . . . . 0.0 110.862 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.9 tptt -110.57 -48.98 3.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.967 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 26.7 p-10 -84.89 -20.4 30.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.107 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 67.56 45.04 1.59 Allowed 'General case' 0 C--O 1.233 0.189 0 CA-C-O 120.983 0.421 . . . . 0.0 111.074 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 20.7 p-10 -95.79 -26.37 15.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.984 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 124.97 2.48 7.82 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.879 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.426 ' CD2' ' HB3' ' A' ' 149' ' ' ASP . 30.7 m-85 -150.36 157.07 42.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.743 0.306 . . . . 0.0 110.897 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 3.9 mt -127.66 148.94 32.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.956 0.408 . . . . 0.0 111.121 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -133.62 179.88 5.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.887 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 1.2 mp -56.37 -29.95 62.08 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.257 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.14 -42.36 99.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.023 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.56 -39.73 70.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.151 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 38.5 mt -53.5 -44.81 69.37 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.78 -34.54 78.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.512 179.644 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 16.0 mt -75.67 -57.24 6.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.216 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 1.3 ptm -58.48 -29.33 66.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.204 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 26.7 mt -72.63 -27.05 61.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.056 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -66.16 -25.76 67.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.824 0.345 . . . . 0.0 110.745 179.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -58.4 -50.41 73.79 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.81 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 13.6 p -61.48 175.85 0.55 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.446 179.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -114.59 19.72 16.19 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.565 -0.826 . . . . 0.0 112.425 179.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -86.45 -175.66 5.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.816 0.341 . . . . 0.0 110.997 -179.765 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 17.8 p -119.18 101.74 8.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.751 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 3.9 mp -111.56 138.62 39.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.153 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.96 164.75 14.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.772 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.53 -45.62 92.13 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.72 -30.27 66.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.919 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.41 -30.52 71.28 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.977 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 5.9 mt -73.79 -17.66 17.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.517 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.16 -36.03 69.21 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.797 0.332 . . . . 0.0 110.996 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -70.34 -22.44 62.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.117 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 2.4 mp -61.23 -53.13 60.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.856 0.36 . . . . 0.0 110.924 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 1.1 mmt -67.98 -26.06 65.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.11 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -51.64 -74.85 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.166 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . 0.406 ' OD1' ' N ' ' A' ' 140' ' ' GLY . 16.0 p-10 -58.89 -33.73 70.84 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.271 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . 0.406 ' N ' ' OD1' ' A' ' 139' ' ' ASP . . . -69.57 -18.31 73.64 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.59 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -98.39 118.47 35.12 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.872 0.367 . . . . 0.0 110.857 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 8.5 mmmt -98.95 -23.06 15.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.157 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 22.7 p-10 -110.34 0.63 18.06 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.394 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 2.1 m120 59.08 38.31 23.95 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.831 0.348 . . . . 0.0 110.942 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 51.3 p-10 -92.06 14.94 14.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.386 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 63.28 15.16 56.35 Favored Glycine 0 CA--C 1.518 0.272 0 C-N-CA 120.896 -0.669 . . . . 0.0 113.289 179.507 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.92 -179.62 8.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.97 0.414 . . . . 0.0 111.199 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 69.1 mt -142.91 151.28 17.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.056 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . 0.426 ' HB3' ' CD2' ' A' ' 111' ' ' TYR . 3.4 p30 -143.11 -177.68 5.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 64.0 t80 -61.56 -26.1 67.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.247 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -77.86 -50.8 11.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.848 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -70.19 -27.24 64.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.933 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 153' ' ' PHE . . . . . 0.408 ' CE2' HD21 ' A' ' 97' ' ' LEU . 21.9 t80 -72.61 -34.31 67.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.872 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -62.69 -32.3 73.36 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -87.01 -33.37 19.6 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.775 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -68.86 -25.8 64.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.673 179.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 157' ' ' MET . . . . . 0.407 ' HG3' ' CZ ' ' A' ' 153' ' ' PHE . 1.1 mmt -91.79 8.21 38.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.433 -0.348 . . . . 0.0 111.162 179.775 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 57.3 mttt -90.78 42.62 1.11 Allowed 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.811 0.338 . . . . 0.0 111.057 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 104.62 89.27 2.1 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.831 -0.7 . . . . 0.0 112.44 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 2.0 t -102.18 -62.13 2.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.801 0.334 . . . . 0.0 111.074 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.851 179.947 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 162' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 163' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 22.2 mtt . . . . . 0 N--CA 1.488 1.448 0 CA-C-O 120.789 0.328 . . . . 0.0 111.243 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 11.9 p -70.97 153.39 8.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.17 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 14.4 mtm-85 -72.79 90.5 1.43 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.744 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 28.8 p -127.85 40.15 3.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.956 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 18.4 ptm -103.48 37.52 1.99 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 10.2 mttt -130.96 175.51 9.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.953 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -69.61 179.28 2.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.947 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -83.75 167.36 17.22 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.969 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.4 m -62.93 -36.6 83.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.952 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 20.3 mttt -58.15 161.29 4.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.046 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -86.71 -165.18 40.82 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.589 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.25 119.61 5.8 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.855 0.359 . . . . 0.0 111.114 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 11.2 t -100.63 -160.53 0.8 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.591 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -54.2 -23.37 14.27 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.757 0.313 . . . . 0.0 111.162 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.74 -29.34 68.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.968 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.67 -25.34 49.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.086 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 69.7 mt -54.92 -23.67 20.0 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.213 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 76.1 p -70.04 -49.47 50.88 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.957 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -63.46 -42.46 98.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.935 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 5.0 mt -59.35 -28.87 67.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.922 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.418 ' CZ ' ' HA ' ' A' ' 149' ' ' ASP . 86.7 t80 -61.19 -43.21 99.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.137 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -57.68 -45.66 85.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.964 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 3.4 mmm -53.69 -43.87 69.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.907 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -67.85 -28.05 67.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.934 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -84.29 90.32 7.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.841 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.28 -50.43 71.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.943 -179.826 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 36.4 p-10 -78.92 -27.71 43.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.059 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 65.62 63.74 0.6 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.119 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 29.8 p-10 -111.5 -20.91 12.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.124 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 124.55 0.66 8.53 Favored Glycine 0 CA--C 1.519 0.334 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.825 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.419 ' CD2' ' HB3' ' A' ' 149' ' ' ASP . 95.5 m-85 -154.4 160.45 41.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.804 0.335 . . . . 0.0 110.709 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 11.5 mt -128.02 151.66 35.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.175 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -132.89 173.37 11.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.833 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 1.1 mt -56.84 -29.52 62.92 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.074 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.422 ' O ' ' CG ' ' A' ' 118' ' ' LYS . 1.5 tt0 -71.22 -44.36 65.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.94 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -74.1 -59.21 2.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.239 -179.603 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 53.2 tp -48.91 -30.63 6.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.769 -179.178 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.422 ' CG ' ' O ' ' A' ' 115' ' ' GLU . 0.0 OUTLIER -71.73 -24.18 61.74 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.598 -0.273 . . . . 0.0 111.191 -179.601 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 33.9 mt -74.6 -45.24 45.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.825 0.345 . . . . 0.0 111.175 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 2.9 ttp -58.52 -32.7 69.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.977 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.06 -19.43 63.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.215 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -64.98 -25.17 67.75 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.743 0.306 . . . . 0.0 110.837 179.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -55.97 -46.68 78.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.939 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 68.2 p -56.49 175.33 0.11 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.672 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -114.07 22.12 14.59 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.598 -0.811 . . . . 0.0 112.542 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -107.58 127.18 53.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.639 0.257 . . . . 0.0 110.845 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 46.0 p -65.19 99.87 0.41 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.069 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 35.5 mm -101.41 160.06 3.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.804 179.649 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 1.8 m -107.54 160.52 15.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.721 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.92 -29.53 68.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.004 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -77.76 -29.33 50.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.028 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -69.6 -38.94 77.51 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.98 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 39.3 mt -73.33 -8.62 11.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.655 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -74.13 -29.66 61.92 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.713 0.292 . . . . 0.0 111.081 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -63.27 -37.64 88.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.971 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.54 -45.72 92.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.892 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.34 -31.3 68.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.92 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 2.8 mmmt -58.99 -75.76 0.05 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.119 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 28.9 p-10 -60.16 -20.09 56.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.511 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -79.25 -44.63 9.49 Favored Glycine 0 N--CA 1.453 -0.19 0 C-N-CA 120.564 -0.827 . . . . 0.0 112.403 179.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 36.5 t0 -65.54 104.89 1.08 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.762 0.315 . . . . 0.0 111.001 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 10.6 mmtp -98.49 -23.01 15.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.045 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 30.0 m120 -86.03 -13.42 47.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.117 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 68.07 37.78 2.88 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.861 0.363 . . . . 0.0 110.867 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 17.6 p-10 -112.74 15.54 19.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.195 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 61.29 30.72 74.8 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.57 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 83.7 mtt180 -157.14 178.2 10.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.873 0.368 . . . . 0.0 110.915 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 46.1 mt -131.83 158.33 43.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.95 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . 0.419 ' HB3' ' CD2' ' A' ' 111' ' ' TYR . 2.3 p30 -154.86 167.34 30.59 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.995 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 150' ' ' TYR . . . . . 0.419 ' CZ ' HD21 ' A' ' 154' ' ' LEU . 78.4 t80 -56.36 -27.74 56.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.255 -179.785 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.94 -57.07 5.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.064 -179.829 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -80.09 -9.06 59.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.574 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -77.4 -37.71 51.36 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.777 0.322 . . . . 0.0 110.713 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . 0.419 HD21 ' CZ ' ' A' ' 150' ' ' TYR . 3.5 mm? -67.7 -25.57 65.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.022 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -83.05 -33.28 26.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.864 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . 0.427 ' CE1' HG11 ' A' ' 160' ' ' VAL . 26.6 t80 -76.36 -28.26 56.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.857 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.8 -2.63 58.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.387 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 2.4 tptm -90.57 49.77 1.72 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.844 0.354 . . . . 0.0 110.866 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 103.57 69.63 0.8 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.355 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . 0.427 HG11 ' CE1' ' A' ' 156' ' ' PHE . 6.4 t -62.22 -61.52 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.854 0.359 . . . . 0.0 111.03 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 4.0 pm0 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.915 -179.943 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 162' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 163' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.887 0.375 . . . . 0.0 110.599 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.7 -19.8 62.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.858 179.665 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.95 -3.08 46.68 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.419 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.536 HD22 ' CE2' ' A' ' 153' ' ' PHE . 54.0 mt -59.51 -19.35 47.47 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.536 -179.72 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 43.4 t -69.36 -33.19 72.71 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.791 0.329 . . . . 0.0 111.085 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -81.04 -32.1 34.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.084 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 15.1 mt -68.38 -28.83 67.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.999 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.446 ' CE1' ' HA ' ' A' ' 149' ' ' ASP . 70.6 t80 -61.62 -53.17 59.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.149 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 36.0 mtm180 -56.24 -31.56 63.66 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.005 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 26.3 mtt -64.28 -20.79 66.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.141 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -95.57 -20.48 18.95 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.212 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -82.31 143.65 31.14 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.821 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 4.6 mmpt? -97.01 -33.93 11.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.998 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 34.9 p30 -116.35 -9.34 11.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.309 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 63.69 63.76 0.83 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.868 0.366 . . . . 0.0 111.033 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -104.86 -5.92 20.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.393 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 104.54 -14.03 50.56 Favored Glycine 0 C--N 1.332 0.319 0 C-N-CA 120.608 -0.806 . . . . 0.0 112.722 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -145.09 152.2 39.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.734 0.302 . . . . 0.0 110.736 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 2.8 mt -127.67 153.2 36.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.965 0.412 . . . . 0.0 111.218 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -135.92 175.02 9.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.752 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 4.0 tp -54.37 -40.64 68.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.227 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.453 ' O ' HD12 ' A' ' 119' ' ' ILE . 4.6 pt-20 -58.14 -47.92 81.84 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.898 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -71.23 -53.09 15.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.749 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.488 ' O ' HD12 ' A' ' 121' ' ' LEU . 14.8 tp -51.63 -29.02 16.19 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.173 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.544 ' HG3' HD13 ' A' ' 133' ' ' ILE . 42.1 tttt -59.97 -41.67 92.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.836 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.453 HD12 ' O ' ' A' ' 115' ' ' GLU . 2.9 mp -72.51 -26.7 24.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.136 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 4.6 ttp -69.75 -38.66 76.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.855 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.748 HD13 HG12 ' A' ' 133' ' ' ILE . 0.6 OUTLIER -67.05 -27.28 67.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.985 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 -57.24 -23.59 49.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.851 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -55.78 -45.7 78.1 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.069 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 70.5 p -65.44 170.98 4.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.563 179.789 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -113.84 26.46 9.99 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.556 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -101.72 -167.01 1.36 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.749 0.309 . . . . 0.0 110.849 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 5.0 p -119.19 111.04 17.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.762 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 28.7 mm -112.65 141.8 27.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.13 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 2.4 p -103.36 166.48 10.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.801 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -59.3 -30.2 68.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.919 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -76.37 -30.79 57.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.909 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -69.45 -43.55 73.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.959 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.748 HG12 HD13 ' A' ' 121' ' ' LEU . 22.0 mt -63.73 -22.32 30.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.251 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -73.23 -35.29 66.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.973 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -57.27 -32.69 66.86 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.14 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.42 HD13 HD21 ' A' ' 117' ' ' LEU . 1.7 mt -70.59 -44.98 66.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.99 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.94 -35.98 64.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.99 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 2.8 tttt -59.24 -71.2 0.13 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.99 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 28.2 p-10 -58.99 -19.73 46.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.621 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -88.59 -27.04 25.78 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.471 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 56.7 t0 -68.13 110.93 4.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.831 0.348 . . . . 0.0 110.929 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 14.0 mmmt -109.19 -30.18 8.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.994 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -87.83 -4.42 58.87 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.209 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 63.27 26.37 15.09 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.797 0.332 . . . . 0.0 111.213 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 35.8 p-10 -98.01 -22.65 16.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.714 179.581 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 101.4 7.69 48.39 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.812 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -128.13 -172.12 2.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.873 0.368 . . . . 0.0 110.951 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 47.4 mt -146.23 134.4 15.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.979 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 149' ' ' ASP . . . . . 0.446 ' HA ' ' CE1' ' A' ' 101' ' ' PHE . 5.8 p-10 -134.14 -173.4 3.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.752 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 150' ' ' TYR . . . . . 0.736 ' O ' HD23 ' A' ' 154' ' ' LEU . 8.8 t80 -58.96 -27.58 65.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.141 -179.786 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -77.09 -52.89 8.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.722 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -67.35 -25.31 65.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.027 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 153' ' ' PHE . . . . . 0.536 ' CE2' HD22 ' A' ' 97' ' ' LEU . 15.5 t80 -72.64 -41.42 65.5 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.825 0.345 . . . . 0.0 110.876 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.736 HD23 ' O ' ' A' ' 150' ' ' TYR . 3.6 mm? -63.87 -31.76 73.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.917 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -83.65 -41.57 17.63 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 156' ' ' PHE . . . . . 0.478 ' CD1' HG11 ' A' ' 160' ' ' VAL . 20.7 t80 -64.21 -22.48 66.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.098 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 21.3 mmt -101.0 13.27 35.76 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.429 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -91.41 35.19 0.94 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.688 0.28 . . . . 0.0 111.356 -179.712 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 104.39 81.68 1.52 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.622 -0.799 . . . . 0.0 112.674 179.621 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 160' ' ' VAL . . . . . 0.478 HG11 ' CD1' ' A' ' 156' ' ' PHE . 1.1 m . . . . . 0 C--N 1.328 -0.36 0 CA-C-O 120.839 0.352 . . . . 0.0 111.2 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.972 0.415 . . . . 0.0 110.246 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -56.31 -23.36 36.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.774 179.545 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.545 ' OE2' HD11 ' A' ' 100' ' ' LEU . 0.1 OUTLIER -76.71 -5.82 49.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.258 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.409 HD22 ' CE2' ' A' ' 153' ' ' PHE . 19.9 mt -51.26 -25.79 6.23 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.704 0.287 . . . . 0.0 111.41 -179.736 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 19.9 p -60.78 -31.12 70.49 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.879 0.371 . . . . 0.0 110.99 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.98 -39.7 65.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.916 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.545 HD11 ' OE2' ' A' ' 96' ' ' GLU . 4.3 mp -70.5 -24.76 62.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.094 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.439 ' CZ ' ' HA ' ' A' ' 149' ' ' ASP . 76.0 t80 -58.36 -46.58 86.0 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.018 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 15.1 mtm180 -56.78 -36.28 69.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.97 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 20.0 mmm -59.75 -21.04 60.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.106 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.464 ' HB3' HD13 ' A' ' 112' ' ' ILE . 12.7 m-85 -98.73 -20.17 17.08 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.208 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.14 151.42 22.21 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.899 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.63 -31.03 11.79 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.004 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 15.8 p30 -114.27 -14.11 12.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.302 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 64.62 62.57 0.78 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.946 0.403 . . . . 0.0 111.064 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -106.1 -25.37 12.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.999 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 125.14 -11.16 7.73 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.791 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.443 ' CD2' ' HB3' ' A' ' 149' ' ' ASP . 3.5 m-85 -143.13 146.41 33.72 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.738 0.304 . . . . 0.0 110.865 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.464 HD13 ' HB3' ' A' ' 104' ' ' PHE . 5.6 mt -128.05 154.46 38.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.035 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' ASP . . . . . 0.417 ' N ' HG22 ' A' ' 112' ' ' ILE . 1.6 p30 -138.59 -177.77 5.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.954 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.816 HD21 ' HG2' ' A' ' 134' ' ' GLU . 0.6 OUTLIER -58.24 -30.34 66.45 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.9 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.91 -57.35 10.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.773 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -72.02 -49.36 37.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.951 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.408 HD23 ' CG2' ' A' ' 133' ' ' ILE . 2.6 tp -52.86 -27.15 17.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.319 -179.774 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -74.96 -29.14 60.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.018 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 26.4 mt -71.79 -49.41 45.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.179 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 1.2 ptm -58.68 -30.22 67.21 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.823 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.911 HD21 ' HB ' ' A' ' 128' ' ' ILE . 2.2 tp -63.86 -31.44 72.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.741 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 69.5 mm-40 -62.61 -26.04 68.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.688 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -56.79 -46.82 81.32 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.06 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 20.2 p -60.39 170.19 1.44 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.567 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -113.94 23.5 12.92 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.518 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -98.7 -170.2 1.9 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.838 0.352 . . . . 0.0 110.837 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 24.7 p -120.07 100.38 7.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.774 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.911 ' HB ' HD21 ' A' ' 121' ' ' LEU . 3.9 mp -113.2 141.62 28.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.974 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 77.2 p -94.27 167.29 11.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.853 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 130' ' ' GLU . . . . . 0.505 ' HA ' HD12 ' A' ' 133' ' ' ILE . 0.5 OUTLIER -70.86 -30.89 67.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.796 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -75.74 -27.82 58.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.973 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -70.75 -40.5 72.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.956 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.537 HD11 HD22 ' A' ' 121' ' ' LEU . 8.1 mt -65.5 -17.54 22.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.437 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 134' ' ' GLU . . . . . 0.816 ' HG2' HD21 ' A' ' 114' ' ' LEU . 6.0 mt-10 -70.34 -53.24 17.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.89 0.376 . . . . 0.0 110.942 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -62.17 -20.75 64.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.224 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.27 -41.38 85.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.853 0.359 . . . . 0.0 110.966 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 137' ' ' MET . . . . . 0.457 ' SD ' HD12 ' A' ' 114' ' ' LEU . 26.2 mtp -75.9 -20.56 57.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.319 -179.788 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 18.2 mmtt -56.92 -70.87 0.11 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.746 0.308 . . . . 0.0 111.201 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 22.7 p-10 -54.45 -24.42 20.07 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.567 -179.576 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -87.39 -23.64 39.45 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.509 -0.853 . . . . 0.0 112.567 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -81.08 97.0 7.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.814 0.34 . . . . 0.0 111.072 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 4.8 mmmt -98.06 -25.47 14.93 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.919 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -83.76 -12.31 55.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.074 179.711 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 62.25 29.38 17.38 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.168 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 34.8 p-10 -100.62 13.65 34.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.258 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 67.7 25.79 73.94 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.72 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 11.4 mtt180 -156.99 -172.82 4.18 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.725 0.297 . . . . 0.0 110.958 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 47.9 mt -142.32 134.95 27.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.091 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 149' ' ' ASP . . . . . 0.443 ' HB3' ' CD2' ' A' ' 111' ' ' TYR . 6.9 p30 -134.45 172.17 13.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.728 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 36.9 t80 -59.79 -24.02 63.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.407 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -70.13 -62.61 1.32 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.817 0.342 . . . . 0.0 111.075 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -72.84 -23.58 60.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.237 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 153' ' ' PHE . . . . . 0.409 ' CE2' HD22 ' A' ' 97' ' ' LEU . 17.4 t80 -62.16 -31.44 71.94 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.887 0.375 . . . . 0.0 110.697 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.84 -25.68 68.01 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.061 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -84.17 -34.23 24.04 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -62.86 -30.98 71.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.951 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -101.69 12.4 37.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.309 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.65 33.88 1.0 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.356 -179.736 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 103.51 73.26 0.94 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.565 -0.826 . . . . 0.0 112.598 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 1.6 m . . . . . 0 C--N 1.33 -0.275 0 CA-C-O 120.81 0.338 . . . . 0.0 111.092 179.937 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.881 0.372 . . . . 0.0 110.667 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -59.88 -29.58 68.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.829 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.01 -19.88 61.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.135 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 89.3 mt -50.08 -26.25 4.25 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.504 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 21.3 t -67.34 -49.58 63.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.826 0.346 . . . . 0.0 110.933 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -64.92 -42.24 94.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.984 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -55.43 -27.44 47.95 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.2 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.406 ' CZ ' ' HA ' ' A' ' 149' ' ' ASP . 65.9 t80 -62.48 -51.17 68.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.779 0.323 . . . . 0.0 110.967 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -56.02 -30.53 62.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.945 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 1.1 mmt -62.71 -21.98 66.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.075 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.769 ' HB3' HD13 ' A' ' 112' ' ' ILE . 3.6 m-85 -94.16 -20.11 20.17 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.111 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -92.39 147.62 22.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.799 0.333 . . . . 0.0 110.862 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.02 -29.78 11.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.921 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 22.6 p-10 -113.42 -14.34 12.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.229 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 66.03 72.25 0.4 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.857 0.361 . . . . 0.0 111.066 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -110.61 -27.35 8.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.103 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 125.13 -8.32 8.01 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.886 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.435 ' CD2' ' HB3' ' A' ' 149' ' ' ASP . 1.9 m-85 -147.85 151.91 36.74 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.821 0.343 . . . . 0.0 110.675 179.776 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.769 HD13 ' HB3' ' A' ' 104' ' ' PHE . 3.3 mt -128.09 153.69 37.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.007 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -135.63 -170.62 2.65 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.939 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 3.4 tt -66.67 -35.77 80.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.131 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -60.51 -51.07 70.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.04 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.414 ' HB3' HG23 ' A' ' 112' ' ' ILE . 0.6 OUTLIER -72.12 -53.86 11.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.962 -179.867 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.693 HD21 HD22 ' A' ' 136' ' ' LEU . 11.6 tp -51.1 -27.72 9.0 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.264 -179.857 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 4.9 ttmm -70.36 -28.25 64.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.023 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 30.4 mt -70.94 -48.54 55.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.13 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 6.0 ptm -61.27 -31.33 71.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.952 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.695 HD23 HG13 ' A' ' 128' ' ' ILE . 0.5 OUTLIER -70.2 -31.44 68.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.846 179.906 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -65.98 -25.89 67.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.638 179.68 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -57.93 -44.72 87.09 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.992 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 62.8 p -59.83 176.32 0.3 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.619 179.738 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -114.21 23.98 12.04 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.431 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 126' ' ' GLU . . . . . 0.736 ' OE1' HD11 ' A' ' 128' ' ' ILE . 15.9 pt-20 -100.38 -172.75 2.26 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.731 0.301 . . . . 0.0 110.869 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -120.02 104.7 10.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.845 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.736 HD11 ' OE1' ' A' ' 126' ' ' GLU . 24.0 mm -112.32 149.48 14.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.134 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 10.2 p -108.95 166.22 10.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.787 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 130' ' ' GLU . . . . . 0.581 ' HA ' HD12 ' A' ' 133' ' ' ILE . 20.7 mt-10 -64.73 -30.75 71.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -69.74 -31.54 69.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.945 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.93 -40.21 75.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.947 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.581 HD12 ' HA ' ' A' ' 130' ' ' GLU . 10.2 mt -66.91 -25.25 33.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.245 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -69.39 -39.84 77.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.88 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -70.22 -30.97 68.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.985 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.693 HD22 HD21 ' A' ' 117' ' ' LEU . 0.1 OUTLIER -59.53 -47.99 83.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.969 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 137' ' ' MET . . . . . 0.522 ' SD ' HD22 ' A' ' 117' ' ' LEU . 15.8 mmm -75.19 -24.45 57.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.126 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 10.5 tptt -56.72 -68.33 0.23 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.105 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 29.8 p-10 -60.43 -19.06 54.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.534 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 140' ' ' GLY . . . . . 0.439 ' HA2' ' CD1' ' A' ' 156' ' ' PHE . . . -86.54 -32.43 15.93 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.59 -0.814 . . . . 0.0 112.348 179.749 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -69.2 123.06 20.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.916 0.388 . . . . 0.0 111.05 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 4.6 mmtm -108.99 -25.45 10.71 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.98 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 19.0 p-10 -104.67 -2.94 24.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.266 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 66.36 28.44 9.75 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.667 0.27 . . . . 0.0 111.115 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 42.3 p-10 -87.82 5.03 42.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.377 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 67.03 28.99 73.99 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.851 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 147' ' ' ARG . . . . . 0.569 ' O ' HD13 ' A' ' 148' ' ' ILE . 42.9 mtt180 -156.86 -177.23 6.46 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.813 0.34 . . . . 0.0 111.057 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 148' ' ' ILE . . . . . 0.569 HD13 ' O ' ' A' ' 147' ' ' ARG . 32.2 mm -141.56 141.42 30.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.083 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 149' ' ' ASP . . . . . 0.435 ' HB3' ' CD2' ' A' ' 111' ' ' TYR . 4.3 p30 -137.5 -176.17 4.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 150' ' ' TYR . . . . . 0.597 ' O ' HD13 ' A' ' 154' ' ' LEU . 38.3 t80 -59.94 -27.26 66.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.131 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.39 -50.05 12.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.822 0.344 . . . . 0.0 110.716 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -68.45 -26.55 65.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.092 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -73.18 -46.33 51.32 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.951 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.597 HD13 ' O ' ' A' ' 150' ' ' TYR . 5.3 mp -56.28 -32.1 64.26 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.941 -179.832 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -85.35 -37.21 20.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.778 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 156' ' ' PHE . . . . . 0.505 ' CD1' HG11 ' A' ' 160' ' ' VAL . 26.4 t80 -66.29 -26.72 67.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.066 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 1.2 mmt -96.58 11.56 34.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.363 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 8.0 mttt -91.2 37.21 0.93 Allowed 'General case' 0 C--O 1.232 0.153 0 CA-C-O 120.754 0.311 . . . . 0.0 111.476 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 100.06 82.35 1.66 Allowed Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.755 179.503 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 160' ' ' VAL . . . . . 0.505 HG11 ' CD1' ' A' ' 156' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--N 1.33 -0.252 0 CA-C-O 120.835 0.35 . . . . 0.0 111.16 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.829 0.347 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -79.93 -10.52 59.78 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.143 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.722 ' OE2' HD13 ' A' ' 100' ' ' LEU . 0.1 OUTLIER -84.09 -25.34 29.84 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.86 0.362 . . . . 0.0 111.109 179.881 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.776 HD21 ' HG2' ' A' ' 157' ' ' MET . 38.2 mt -57.9 -20.05 34.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.628 -179.674 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.8 t -71.18 -47.56 56.85 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.73 0.3 . . . . 0.0 110.995 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -67.55 -39.34 84.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.071 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.722 HD13 ' OE2' ' A' ' 96' ' ' GLU . 0.7 OUTLIER -70.89 -28.43 64.54 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.05 -179.872 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.437 ' CZ ' ' HA ' ' A' ' 149' ' ' ASP . 31.7 t80 -55.49 -30.35 60.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.927 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.1 -32.1 73.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.791 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 5.3 mmm -60.06 -52.55 64.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.828 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.503 ' HB3' HD13 ' A' ' 112' ' ' ILE . 1.0 OUTLIER -67.29 -26.13 66.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.997 179.913 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -82.71 151.25 26.3 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.865 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.11 -47.43 3.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.82 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -79.24 -23.17 43.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.963 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 65.21 41.06 4.63 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.845 0.355 . . . . 0.0 111.042 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 22.4 p-10 -97.96 -23.77 15.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.114 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 125.07 -1.24 8.37 Favored Glycine 0 CA--C 1.52 0.373 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.839 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.437 ' CD2' ' HB3' ' A' ' 149' ' ' ASP . 15.5 m-85 -145.43 150.81 37.19 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.819 0.342 . . . . 0.0 110.807 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.503 HD13 ' HB3' ' A' ' 104' ' ' PHE . 17.0 mt -127.95 154.34 38.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.012 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -132.94 -175.9 3.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.998 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.974 HD13 HD12 ' A' ' 117' ' ' LEU . 4.3 mm? -62.74 -33.3 74.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.24 -179.708 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -58.36 -44.82 88.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.137 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.747 ' HA ' HD12 ' A' ' 119' ' ' ILE . 9.0 mt-10 -71.82 -33.74 68.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.13 -179.728 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.974 HD12 HD13 ' A' ' 114' ' ' LEU . 86.9 mt -55.43 -48.14 74.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.764 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.678 ' HG3' HD13 ' A' ' 133' ' ' ILE . 22.1 mttt -59.54 -27.49 66.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.636 179.739 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.747 HD12 ' HA ' ' A' ' 116' ' ' GLU . 42.8 mt -75.97 -58.83 3.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.178 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 1.9 ptm -59.52 -31.12 69.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.011 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.777 HD13 HG12 ' A' ' 133' ' ' ILE . 0.8 OUTLIER -70.05 -30.83 68.19 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.893 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 7.4 mm-40 -62.92 -25.0 68.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.591 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -56.56 -46.38 80.74 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.976 179.785 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 11.5 p -62.57 174.86 0.89 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.496 179.688 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -114.07 19.43 17.87 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.624 -0.798 . . . . 0.0 112.588 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' GLU . . . . . 0.461 ' OE2' HD11 ' A' ' 128' ' ' ILE . 4.7 pt-20 -107.41 124.48 49.91 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.914 0.387 . . . . 0.0 110.738 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 46.7 p -59.99 104.57 0.31 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.063 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.461 HD11 ' OE2' ' A' ' 126' ' ' GLU . 29.5 mm -97.3 155.51 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.973 179.829 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 129' ' ' THR . . . . . 0.444 ' N ' HG22 ' A' ' 128' ' ' ILE . 15.1 t -111.44 160.06 17.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.796 179.81 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 130' ' ' GLU . . . . . 0.582 ' HA ' HD12 ' A' ' 133' ' ' ILE . 56.5 mt-10 -59.34 -35.05 73.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.932 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.72 -30.81 71.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.975 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.99 -37.04 58.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.898 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.777 HG12 HD13 ' A' ' 121' ' ' LEU . 16.8 mt -69.56 -31.85 50.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.127 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -65.6 -57.38 8.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.977 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.09 -21.59 46.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.23 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.25 -50.22 74.35 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.843 0.354 . . . . 0.0 110.874 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 137' ' ' MET . . . . . 0.619 ' HG2' HD11 ' A' ' 117' ' ' LEU . 0.0 OUTLIER -72.03 -22.24 61.42 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.195 -179.936 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 10.6 tttt -49.84 -72.49 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.809 0.338 . . . . 0.0 111.348 -179.69 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 139' ' ' ASP . . . . . 0.423 ' OD2' ' CZ ' ' A' ' 156' ' ' PHE . 19.2 p-10 -63.61 -31.52 72.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.358 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 140' ' ' GLY . . . . . 0.417 ' N ' ' OD1' ' A' ' 139' ' ' ASP . . . -69.65 -26.08 74.83 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.491 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -88.91 117.98 28.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.787 0.327 . . . . 0.0 110.854 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.75 -24.81 16.33 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.096 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 31.1 p30 -116.35 18.04 15.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.108 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 144' ' ' ASN . . . . . 0.451 ' O ' ' ND2' ' A' ' 144' ' ' ASN . 1.2 p-10 43.2 42.98 3.75 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.643 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 35.9 p-10 -93.06 14.36 18.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.278 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 62.86 15.87 55.88 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.944 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 49.3 mtt180 -149.1 -177.88 6.07 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.788 0.327 . . . . 0.0 110.934 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 36.1 mt -148.4 137.69 15.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.26 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 149' ' ' ASP . . . . . 0.437 ' HA ' ' CZ ' ' A' ' 101' ' ' PHE . 4.1 p30 -134.16 177.86 7.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.591 179.631 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 150' ' ' TYR . . . . . 0.773 ' CZ ' HD21 ' A' ' 154' ' ' LEU . 19.8 t80 -56.71 -38.28 72.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.83 0.348 . . . . 0.0 110.95 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.48 -55.41 31.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.697 179.802 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -71.07 -27.77 63.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.057 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 153' ' ' PHE . . . . . 0.603 ' CE2' HD22 ' A' ' 97' ' ' LEU . 10.7 t80 -72.33 -42.74 65.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.886 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.773 HD21 ' CZ ' ' A' ' 150' ' ' TYR . 11.9 mt -56.11 -31.74 63.56 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.838 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -82.64 -34.6 27.45 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.742 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 156' ' ' PHE . . . . . 0.579 ' O ' HG22 ' A' ' 160' ' ' VAL . 16.3 t80 -68.42 -34.08 75.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.671 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 157' ' ' MET . . . . . 0.776 ' HG2' HD21 ' A' ' 97' ' ' LEU . 0.2 OUTLIER -90.06 2.55 55.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.157 179.886 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.04 45.66 1.26 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.857 0.36 . . . . 0.0 110.972 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 104.26 76.03 1.07 Allowed Glycine 0 N--CA 1.453 -0.204 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.4 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 160' ' ' VAL . . . . . 0.579 HG22 ' O ' ' A' ' 156' ' ' PHE . 2.8 t . . . . . 0 C--N 1.328 -0.345 0 CA-C-O 120.821 0.343 . . . . 0.0 111.107 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.877 0.37 . . . . 0.0 110.802 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.65 -24.31 21.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.027 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -90.54 12.51 18.52 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.361 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 31.5 mt -65.19 -29.07 69.85 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.758 0.313 . . . . 0.0 110.891 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.401 ' CA ' ' CE1' ' A' ' 150' ' ' TYR . 1.0 OUTLIER -69.31 -48.3 61.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.725 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.57 -42.32 96.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.857 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.35 -30.11 70.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.917 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.432 ' CZ ' ' HA ' ' A' ' 149' ' ' ASP . 65.8 t80 -59.9 -40.63 89.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.935 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 11.9 ttm180 -58.59 -40.58 83.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.868 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 3.1 mtt -56.63 -49.12 75.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.796 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -61.72 -27.81 68.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.902 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.29 154.78 30.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.909 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.89 -46.94 3.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.946 0.403 . . . . 0.0 110.923 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 25.6 p30 -91.83 -19.55 22.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.077 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 67.11 62.61 0.47 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.906 0.384 . . . . 0.0 111.078 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -110.49 -26.34 9.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.105 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 125.05 0.87 8.14 Favored Glycine 0 CA--C 1.519 0.318 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.783 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.446 ' CD2' ' HB3' ' A' ' 149' ' ' ASP . 6.0 m-85 -150.29 154.02 37.15 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.711 0.291 . . . . 0.0 110.746 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.434 HG22 ' N ' ' A' ' 113' ' ' ASP . 6.0 mt -128.35 155.4 40.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.955 0.407 . . . . 0.0 111.11 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' ASP . . . . . 0.434 ' N ' HG22 ' A' ' 112' ' ' ILE . 6.1 t0 -134.64 179.07 6.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.853 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.68 -28.45 67.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.98 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -68.17 -60.98 2.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.838 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.65 ' HA ' HD12 ' A' ' 119' ' ' ILE . 9.0 mt-10 -61.26 -53.21 59.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.71 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.616 HD23 HG23 ' A' ' 133' ' ' ILE . 11.7 tp -49.21 -28.62 4.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.207 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 44.7 tttt -76.18 -29.64 57.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.9 179.789 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.65 HD12 ' HA ' ' A' ' 116' ' ' GLU . 22.4 mt -73.35 -51.14 26.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.203 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -56.71 -30.26 63.29 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.058 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 14.7 mt -67.37 -22.25 65.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.066 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 10.3 mm100 -61.32 -24.54 66.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.504 -0.317 . . . . 0.0 110.855 179.747 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -56.09 -47.44 78.03 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.961 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 16.6 p -62.55 174.88 0.88 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.59 179.744 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -114.03 21.48 15.63 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.594 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -107.76 124.77 50.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.876 0.369 . . . . 0.0 110.865 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 1.2 p -63.17 103.09 0.44 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.933 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.473 HG22 ' N ' ' A' ' 129' ' ' THR . 22.1 mm -95.05 159.03 2.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.142 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 129' ' ' THR . . . . . 0.594 HG23 ' H ' ' A' ' 132' ' ' ASP . 9.0 t -117.75 165.95 13.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 130' ' ' GLU . . . . . 0.447 ' HA ' HD12 ' A' ' 133' ' ' ILE . 45.9 mt-10 -64.83 -30.66 71.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.905 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -70.97 -31.25 67.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.816 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 132' ' ' ASP . . . . . 0.594 ' H ' HG23 ' A' ' 129' ' ' THR . 2.5 m-20 -68.64 -40.49 80.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.905 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.616 HG23 HD23 ' A' ' 117' ' ' LEU . 4.1 mt -73.77 -28.77 24.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.112 -179.827 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.78 -41.58 86.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.853 0.359 . . . . 0.0 111.107 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.64 -28.62 64.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.079 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.408 HD22 HD21 ' A' ' 117' ' ' LEU . 0.2 OUTLIER -61.93 -52.32 64.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.838 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 1.9 ttm -71.89 -25.8 62.08 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.046 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 7.6 tttt -53.11 -69.47 0.11 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.224 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 23.9 p-10 -68.66 -24.96 64.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.326 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -76.98 -5.07 84.36 Favored Glycine 0 CA--C 1.52 0.383 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.662 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 63.1 t0 -92.83 130.23 38.5 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.798 0.333 . . . . 0.0 110.849 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 13.6 mmmt -122.53 -31.74 3.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.293 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 30.4 m120 -97.1 20.32 11.51 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.115 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 7.4 p-10 42.7 32.02 0.35 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.72 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 19.9 p-10 -95.66 -26.52 15.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.602 179.691 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 98.44 19.26 23.56 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.882 -0.675 . . . . 0.0 112.633 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 11.4 mtt180 -139.93 -178.59 5.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.824 0.345 . . . . 0.0 110.733 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 25.4 mt -136.24 139.21 45.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.337 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 149' ' ' ASP . . . . . 0.446 ' HB3' ' CD2' ' A' ' 111' ' ' TYR . 3.0 p30 -137.13 167.33 21.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.777 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 150' ' ' TYR . . . . . 0.401 ' CE1' ' CA ' ' A' ' 98' ' ' SER . 20.2 t80 -57.33 -27.92 62.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.373 -179.623 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.86 -60.28 2.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.806 0.336 . . . . 0.0 111.073 -179.774 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -77.12 -12.93 60.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.456 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 153' ' ' PHE . . . . . 0.423 ' CZ ' ' HG3' ' A' ' 157' ' ' MET . 17.9 t80 -73.27 -33.16 65.1 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.883 0.373 . . . . 0.0 110.787 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.409 ' HA ' HD13 ' A' ' 154' ' ' LEU . 0.9 OUTLIER -62.78 -29.28 70.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.982 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -86.67 -29.73 22.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 156' ' ' PHE . . . . . 0.682 ' O ' HG13 ' A' ' 160' ' ' VAL . 13.4 t80 -73.3 -41.82 63.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.845 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 157' ' ' MET . . . . . 0.423 ' HG3' ' CZ ' ' A' ' 153' ' ' PHE . 0.8 OUTLIER -81.14 -1.52 44.83 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.212 179.804 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 11.0 tttt -90.66 50.41 1.81 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.914 0.387 . . . . 0.0 110.67 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 104.31 89.99 2.14 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.3 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 160' ' ' VAL . . . . . 0.682 HG13 ' O ' ' A' ' 156' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-O 120.758 0.313 . . . . 0.0 111.066 -179.846 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.829 0.347 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -56.07 -28.96 59.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.885 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -91.01 17.79 7.52 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.403 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.543 HD22 ' CE2' ' A' ' 153' ' ' PHE . 13.4 mt -64.99 -18.94 65.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.637 -0.256 . . . . 0.0 111.17 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.1 p -73.11 -33.55 65.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.819 0.342 . . . . 0.0 110.993 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -59.09 -42.11 89.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.819 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.483 HD23 ' HG3' ' A' ' 103' ' ' MET . 11.3 mt -78.5 -17.32 56.41 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.175 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.435 ' CZ ' ' HA ' ' A' ' 149' ' ' ASP . 67.9 t80 -58.52 -43.97 89.37 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.812 0.339 . . . . 0.0 111.168 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.23 -31.01 69.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.837 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' MET . . . . . 0.483 ' HG3' HD23 ' A' ' 100' ' ' LEU . 13.3 mmm -63.69 -20.63 65.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.228 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.531 ' HB3' HD13 ' A' ' 112' ' ' ILE . 0.4 OUTLIER -94.09 -21.95 18.8 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.157 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -79.63 146.95 32.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.016 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.796 ' CD ' HG21 ' A' ' 119' ' ' ILE . 0.1 OUTLIER -99.03 -37.95 9.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.953 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 38.0 p-10 -107.13 -8.89 16.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.333 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 64.5 66.29 0.61 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.886 0.374 . . . . 0.0 111.107 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -111.4 -29.42 7.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.971 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 125.19 -3.65 8.34 Favored Glycine 0 CA--C 1.519 0.303 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.794 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.442 ' CD2' ' HB3' ' A' ' 149' ' ' ASP . 6.2 m-85 -147.22 152.58 38.6 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.722 0.296 . . . . 0.0 110.822 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.531 HD13 ' HB3' ' A' ' 104' ' ' PHE . 2.6 mt -127.51 152.1 35.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.117 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 23.7 p-10 -137.59 -173.64 3.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.961 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 6.6 tp -57.95 -35.02 70.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.993 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.84 -56.89 10.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.837 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.34 -45.26 84.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.913 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.441 HD21 ' HB3' ' A' ' 136' ' ' LEU . 25.5 tp -55.08 -29.25 57.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.02 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.41 -28.72 64.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.838 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.796 HG21 ' CD ' ' A' ' 106' ' ' LYS . 28.0 mm -71.18 -25.46 25.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.235 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 5.4 tmm? -82.21 -32.5 29.79 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.063 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.741 HD12 HG13 ' A' ' 128' ' ' ILE . 3.4 mm? -73.4 -30.61 63.38 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.16 -179.826 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -69.57 -39.62 77.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.001 0.429 . . . . 0.0 110.524 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -52.03 -43.38 63.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.95 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.25 178.74 0.25 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.356 179.594 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -112.74 17.59 22.86 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.524 -0.846 . . . . 0.0 112.733 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -107.07 124.27 49.42 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.815 0.341 . . . . 0.0 110.865 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 81.5 p -65.21 104.14 0.88 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.292 -179.723 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.741 HG13 HD12 ' A' ' 121' ' ' LEU . 42.4 mm -105.89 158.0 6.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.828 179.624 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 129' ' ' THR . . . . . 0.496 ' N ' HG22 ' A' ' 128' ' ' ILE . 0.7 OUTLIER -101.68 158.2 16.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.902 179.84 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.19 -30.23 67.3 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.81 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -76.55 -27.83 56.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.063 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.16 -40.91 74.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.882 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 15.9 mt -69.49 -21.12 24.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.287 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -59.05 -35.72 73.81 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.882 0.372 . . . . 0.0 110.956 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -82.63 -19.51 38.14 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.207 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.441 ' HB3' HD21 ' A' ' 117' ' ' LEU . 0.1 OUTLIER -59.69 -46.76 88.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.777 0.322 . . . . 0.0 110.981 -179.939 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.9 -23.7 55.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.31 -179.823 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 20.9 mttt -55.99 -67.82 0.26 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.209 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 24.3 p-10 -57.5 -21.2 36.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.628 -179.696 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 140' ' ' GLY . . . . . 0.433 ' HA2' ' CG ' ' A' ' 156' ' ' PHE . . . -80.22 -44.24 9.0 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.528 -0.844 . . . . 0.0 112.271 179.798 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -68.39 127.27 32.35 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-O 120.801 0.334 . . . . 0.0 110.977 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 3.9 mmmp? -103.31 -18.87 14.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.173 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 23.8 p30 -102.11 -21.24 14.46 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.82 0.343 . . . . 0.0 110.888 179.662 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 1.5 t30 75.7 56.97 0.06 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.278 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -108.44 -32.52 7.39 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.122 179.087 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 118.16 13.85 6.84 Favored Glycine 0 N--CA 1.451 -0.307 0 CA-C-N 115.768 -0.651 . . . . 0.0 112.836 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 19.8 mtt85 -144.51 -170.82 3.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.871 0.367 . . . . 0.0 110.817 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 33.4 mt -148.79 138.92 16.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.108 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 149' ' ' ASP . . . . . 0.442 ' HB3' ' CD2' ' A' ' 111' ' ' TYR . 51.1 p30 -134.22 170.71 15.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.814 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 41.2 t80 -59.89 -24.08 63.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.205 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -69.83 -63.22 1.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.916 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -70.55 -25.52 63.13 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.144 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 153' ' ' PHE . . . . . 0.543 ' CE2' HD22 ' A' ' 97' ' ' LEU . 19.8 t80 -62.37 -30.65 71.34 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.761 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.23 -28.33 69.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.917 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -87.8 -31.98 19.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.007 0.432 . . . . 0.0 110.766 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 156' ' ' PHE . . . . . 0.486 ' CE1' HG11 ' A' ' 160' ' ' VAL . 14.3 t80 -65.35 -26.46 68.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.022 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -97.31 14.38 26.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.27 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.65 35.14 0.96 Allowed 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 116.548 -0.297 . . . . 0.0 111.277 -179.654 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 104.24 80.97 1.46 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.75 179.7 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 160' ' ' VAL . . . . . 0.486 HG11 ' CE1' ' A' ' 156' ' ' PHE . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-O 120.746 0.307 . . . . 0.0 111.16 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.708 0.289 . . . . 0.0 110.816 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -57.62 -26.74 62.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.932 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -91.37 18.18 7.5 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.427 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 20.4 mt -76.09 -25.47 55.53 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.106 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -67.12 -36.23 81.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.016 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.98 -40.19 78.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 4.7 mt -67.31 -27.55 67.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.009 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.44 ' CZ ' ' HA ' ' A' ' 149' ' ' ASP . 75.9 t80 -58.31 -43.34 88.09 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.02 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 7.9 mtt85 -57.82 -37.54 74.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.945 0.402 . . . . 0.0 111.029 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 4.3 mmt -62.87 -18.79 63.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.18 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -102.98 -25.39 13.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.054 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.4 ' HA ' HG12 ' A' ' 112' ' ' ILE . 6.4 t0 -96.5 93.26 6.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.898 0.38 . . . . 0.0 111.057 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 45.0 mmtm -55.57 -46.1 77.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.943 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -70.2 -30.98 68.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.989 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 62.45 53.83 2.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.161 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -110.91 -19.86 12.65 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.18 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 125.09 -10.42 7.82 Favored Glycine 0 C--N 1.331 0.269 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.785 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.435 ' CD2' ' HB3' ' A' ' 149' ' ' ASP . 1.8 m-85 -145.89 150.8 36.79 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.737 0.304 . . . . 0.0 110.774 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.4 HG12 ' HA ' ' A' ' 105' ' ' ASP . 1.3 mp -127.56 154.93 38.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.01 179.754 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 18.6 p30 -136.4 -176.65 4.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.902 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.474 ' H ' HD12 ' A' ' 114' ' ' LEU . 3.7 mp -58.61 -28.24 65.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.09 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.17 -59.75 2.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.008 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.78 -54.88 32.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.564 HD21 HD22 ' A' ' 136' ' ' LEU . 4.3 tp -51.09 -27.53 8.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.251 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.91 -35.03 70.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.923 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 7.9 mt -68.76 -36.9 76.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.096 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 6.2 tmm? -60.38 -34.41 73.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.784 HD13 HG12 ' A' ' 133' ' ' ILE . 0.2 OUTLIER -73.25 -30.95 63.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.89 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 58.9 mm-40 -60.15 -26.82 66.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.828 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -55.67 -44.53 77.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.075 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 16.3 p -69.01 169.07 12.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.639 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -112.2 23.81 15.48 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.551 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -108.14 126.27 52.58 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.789 0.328 . . . . 0.0 110.773 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 62.5 p -58.57 109.97 0.9 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.051 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.558 HG21 HD22 ' A' ' 121' ' ' LEU . 17.4 mm -104.42 157.71 5.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.076 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 129' ' ' THR . . . . . 0.447 ' N ' HG22 ' A' ' 128' ' ' ILE . 2.2 p -106.2 158.28 16.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.832 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 130' ' ' GLU . . . . . 0.639 ' HA ' HD12 ' A' ' 133' ' ' ILE . 2.0 mt-10 -59.66 -30.3 68.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -72.59 -31.58 65.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.95 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.36 -41.05 98.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.784 HG12 HD13 ' A' ' 121' ' ' LEU . 2.8 mt -68.93 -28.31 39.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.202 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -66.34 -41.63 89.32 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.978 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -72.4 -29.69 63.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.091 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.564 HD22 HD21 ' A' ' 117' ' ' LEU . 0.2 OUTLIER -59.32 -49.09 79.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.981 -179.933 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 137' ' ' MET . . . . . 0.51 ' CG ' HD22 ' A' ' 117' ' ' LEU . 0.8 OUTLIER -77.91 -23.66 48.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.232 -179.941 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 4.8 tttt -55.6 -67.89 0.25 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.199 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 28.1 p-10 -60.51 -18.38 51.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.56 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -84.65 -42.63 7.21 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.461 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -78.93 133.98 36.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.883 0.373 . . . . 0.0 110.988 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 46.0 mmtt -119.96 -4.19 10.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.308 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -96.65 -7.2 34.79 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.64 0.257 . . . . 0.0 111.314 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 28.9 t30 67.31 26.22 8.58 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.705 0.288 . . . . 0.0 111.251 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -98.03 -21.88 16.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.812 179.614 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 92.5 27.7 14.48 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.842 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 5.5 mtt180 -142.48 179.64 6.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.787 0.327 . . . . 0.0 111.096 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 148' ' ' ILE . . . . . 0.571 HG23 ' HB2' ' A' ' 152' ' ' GLU . 44.4 mt -145.82 134.51 16.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.075 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 149' ' ' ASP . . . . . 0.44 ' HA ' ' CZ ' ' A' ' 101' ' ' PHE . 4.6 p30 -134.29 -171.46 2.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.79 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 150' ' ' TYR . . . . . 0.68 ' O ' HD13 ' A' ' 154' ' ' LEU . 23.5 t80 -54.75 -27.04 38.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.234 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -80.49 -47.21 14.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.938 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 152' ' ' GLU . . . . . 0.571 ' HB2' HG23 ' A' ' 148' ' ' ILE . 30.8 mm-40 -72.7 -17.33 61.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.208 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 153' ' ' PHE . . . . . 0.442 ' CE1' ' HG3' ' A' ' 157' ' ' MET . 1.5 t80 -86.21 -33.36 20.78 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 120.892 0.377 . . . . 0.0 110.827 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.68 HD13 ' O ' ' A' ' 150' ' ' TYR . 7.5 mp -75.84 -34.34 60.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.781 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -78.8 -41.3 30.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.675 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 156' ' ' PHE . . . . . 0.721 ' O ' HG22 ' A' ' 160' ' ' VAL . 37.5 t80 -68.72 -27.23 65.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.702 179.814 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 157' ' ' MET . . . . . 0.442 ' HG3' ' CE1' ' A' ' 153' ' ' PHE . 30.3 mmt -89.62 4.76 48.39 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.32 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 5.2 tttp -88.8 42.42 1.08 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.72 0.295 . . . . 0.0 111.271 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 103.98 75.49 1.05 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.453 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 160' ' ' VAL . . . . . 0.721 HG22 ' O ' ' A' ' 156' ' ' PHE . 2.4 t . . . . . 0 C--N 1.329 -0.287 0 CA-C-O 120.829 0.347 . . . . 0.0 111.025 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.918 0.389 . . . . 0.0 110.621 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -79.44 -9.7 59.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.846 179.487 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -86.17 -24.79 26.01 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.193 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.531 HD22 ' HG3' ' A' ' 157' ' ' MET . 96.0 mt -55.16 -23.55 22.09 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.333 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.408 ' HA ' ' CE1' ' A' ' 150' ' ' TYR . 44.6 p -68.64 -40.45 80.27 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.801 0.334 . . . . 0.0 111.029 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -70.16 -31.48 68.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.023 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.43 -29.95 67.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.068 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.43 ' CE1' ' HA ' ' A' ' 149' ' ' ASP . 74.8 t80 -58.31 -55.94 28.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.907 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -57.42 -31.59 66.03 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.772 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 5.9 mmt -63.87 -22.5 66.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.003 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.761 ' HB3' HD13 ' A' ' 112' ' ' ILE . 5.4 m-85 -92.85 -23.19 18.9 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.983 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.32 140.98 40.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.864 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.59 -38.21 10.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.835 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 7.6 p-10 -111.92 -13.33 13.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.236 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 67.05 69.46 0.39 Allowed 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.814 0.34 . . . . 0.0 111.066 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -111.63 -2.93 15.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.498 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 102.25 -9.91 56.38 Favored Glycine 0 CA--C 1.519 0.296 0 C-N-CA 120.532 -0.842 . . . . 0.0 112.79 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.43 ' CD2' ' HB3' ' A' ' 149' ' ' ASP . 58.1 m-85 -147.64 155.27 41.61 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.744 0.306 . . . . 0.0 110.79 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.761 HD13 ' HB3' ' A' ' 104' ' ' PHE . 12.1 mt -127.84 151.36 34.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.913 0.387 . . . . 0.0 111.226 179.773 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -132.96 -176.53 4.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.881 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.545 HD21 ' HA ' ' A' ' 134' ' ' GLU . 0.1 OUTLIER -58.92 -31.17 68.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 -179.921 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.96 -59.93 2.89 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.423 ' HA ' HD12 ' A' ' 119' ' ' ILE . 18.1 mp0 -59.73 -45.27 92.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.467 HD21 ' HB3' ' A' ' 136' ' ' LEU . 59.7 tp -58.62 -30.39 67.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.006 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.598 ' HG3' HD13 ' A' ' 133' ' ' ILE . 0.0 OUTLIER -62.95 -46.33 88.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 179.942 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.423 HD12 ' HA ' ' A' ' 116' ' ' GLU . 3.9 mt -69.02 -27.68 36.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.159 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 3.3 tmm? -63.69 -54.32 37.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.826 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.644 HD23 HD13 ' A' ' 128' ' ' ILE . 10.4 mp -63.94 -22.59 66.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.209 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -64.01 -24.47 67.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.76 0.314 . . . . 0.0 110.785 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -56.76 -47.0 81.1 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.999 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 30.2 p -58.74 174.88 0.3 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.572 179.784 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -114.44 24.16 11.6 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.565 -0.826 . . . . 0.0 112.498 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -96.18 -169.37 1.91 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.838 0.351 . . . . 0.0 110.911 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 1.8 p -119.98 102.76 8.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.899 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.644 HD13 HD23 ' A' ' 121' ' ' LEU . 4.7 mt -112.72 145.39 18.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.161 -179.8 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.85 160.32 14.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.813 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 130' ' ' GLU . . . . . 0.589 ' HA ' HD12 ' A' ' 133' ' ' ILE . 0.5 OUTLIER -62.26 -30.51 71.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.923 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -75.35 -31.15 60.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.85 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -64.86 -36.47 84.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.598 HD13 ' HG3' ' A' ' 118' ' ' LYS . 4.3 mt -73.05 -23.39 20.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.365 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 134' ' ' GLU . . . . . 0.545 ' HA ' HD21 ' A' ' 114' ' ' LEU . 0.3 OUTLIER -62.26 -47.66 83.39 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.975 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -66.65 -23.98 66.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.192 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.467 ' HB3' HD21 ' A' ' 117' ' ' LEU . 0.2 OUTLIER -61.06 -54.13 48.62 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.915 -179.891 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 9.1 ttm -73.66 -26.91 60.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.163 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 54.7 mttt -54.84 -67.89 0.23 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.26 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 29.1 p-10 -58.84 -20.06 47.18 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.465 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -83.58 -42.61 7.73 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.53 -0.843 . . . . 0.0 112.26 179.724 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 49.6 t0 -63.41 115.5 4.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.845 0.355 . . . . 0.0 110.901 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -108.51 -25.25 11.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.931 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -83.44 -17.9 40.51 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.96 179.742 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 71.1 31.46 2.47 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.144 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 45.0 p-10 -94.94 -28.58 15.1 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.332 179.343 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 111.9 16.13 9.46 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.991 -0.623 . . . . 0.0 112.921 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 2.9 ptt180 -149.25 -175.51 5.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.824 0.345 . . . . 0.0 110.998 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 44.0 mt -134.98 148.0 29.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.31 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 149' ' ' ASP . . . . . 0.43 ' HA ' ' CE1' ' A' ' 101' ' ' PHE . 2.5 p30 -140.64 168.22 20.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.678 179.703 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 150' ' ' TYR . . . . . 0.666 ' O ' HD23 ' A' ' 154' ' ' LEU . 28.4 t80 -60.39 -26.03 66.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.568 -179.561 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.7 -61.88 1.61 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.866 0.365 . . . . 0.0 110.992 -179.761 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -69.43 -26.55 64.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.212 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 25.0 t80 -57.94 -31.3 66.69 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.789 0.328 . . . . 0.0 110.879 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.666 HD23 ' O ' ' A' ' 150' ' ' TYR . 3.0 mm? -65.69 -27.77 68.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.037 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -80.53 -38.98 28.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.874 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 156' ' ' PHE . . . . . 0.761 ' O ' HG22 ' A' ' 160' ' ' VAL . 42.9 t80 -71.02 -11.22 60.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.167 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 157' ' ' MET . . . . . 0.531 ' HG3' HD22 ' A' ' 97' ' ' LEU . 4.4 mmt -103.86 5.8 36.08 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.603 -0.271 . . . . 0.0 111.422 179.802 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.59 42.9 1.12 Allowed 'General case' 0 CA--C 1.528 0.122 0 CA-C-O 120.826 0.346 . . . . 0.0 110.982 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 104.78 79.1 1.28 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.442 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 160' ' ' VAL . . . . . 0.761 HG22 ' O ' ' A' ' 156' ' ' PHE . 2.7 t . . . . . 0 C--N 1.329 -0.287 0 CA-C-O 120.883 0.373 . . . . 0.0 111.159 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.941 0.401 . . . . 0.0 110.774 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -69.07 -28.56 66.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.978 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -74.59 -25.2 59.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.057 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.467 HD22 ' HG3' ' A' ' 157' ' ' MET . 80.9 mt -52.87 -27.7 19.7 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.319 -179.834 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.1 p -77.75 -41.48 37.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.904 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.68 -35.22 67.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 4.7 mt -73.66 -20.82 60.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.171 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -61.81 -47.15 86.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.969 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.03 -30.96 69.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.897 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.11 -21.94 66.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.067 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -92.23 -25.98 18.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.004 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.03 153.59 39.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.921 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.466 ' HG2' HD13 ' A' ' 119' ' ' ILE . 0.1 OUTLIER -99.66 -41.95 7.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.924 179.922 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 13.7 p30 -104.4 -8.11 19.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.383 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 62.8 67.33 0.7 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.924 0.393 . . . . 0.0 111.112 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -111.37 -29.53 7.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.959 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 125.05 -0.47 8.3 Favored Glycine 0 CA--C 1.519 0.316 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.817 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.443 ' CD2' ' HB3' ' A' ' 149' ' ' ASP . 22.6 m-85 -147.32 153.79 40.14 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.773 0.321 . . . . 0.0 110.783 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 1.7 mt -127.67 149.79 32.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.957 0.408 . . . . 0.0 111.045 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 37.7 p30 -135.97 -175.23 3.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.917 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.428 HD11 ' HG3' ' A' ' 134' ' ' GLU . 0.2 OUTLIER -59.12 -29.59 67.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.918 179.879 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.71 -60.49 2.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.783 ' HA ' HD12 ' A' ' 119' ' ' ILE . 4.3 mt-10 -60.76 -48.47 81.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.803 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 15.4 tp -54.27 -29.58 47.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.029 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 1.6 tttt -62.62 -36.51 82.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.794 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.783 HD12 ' HA ' ' A' ' 116' ' ' GLU . 3.9 mt -71.32 -39.07 71.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.938 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 2.8 tmm? -60.66 -31.9 71.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.936 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.543 HD12 HG13 ' A' ' 128' ' ' ILE . 3.9 mm? -75.66 -28.55 58.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.924 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -58.4 -25.04 61.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.805 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -55.16 -43.58 74.37 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.954 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 26.7 p -61.23 158.93 13.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.671 179.642 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -77.29 -51.37 6.15 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.564 -0.826 . . . . 0.0 112.309 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -53.66 172.79 0.06 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.996 0.427 . . . . 0.0 111.289 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 43.6 p -103.51 126.24 50.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.022 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.543 HG13 HD12 ' A' ' 121' ' ' LEU . 21.2 mm -101.89 161.04 3.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.928 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 129' ' ' THR . . . . . 0.654 HG23 ' H ' ' A' ' 132' ' ' ASP . 3.8 t -114.99 163.87 14.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.954 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.81 -30.33 70.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.098 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -66.3 -46.45 76.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.041 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 132' ' ' ASP . . . . . 0.654 ' H ' HG23 ' A' ' 129' ' ' THR . 3.3 m-20 -59.18 -48.39 81.8 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.994 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.469 HD12 ' O ' ' A' ' 129' ' ' THR . 4.3 mt -63.97 -25.36 37.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.253 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 134' ' ' GLU . . . . . 0.428 ' HG3' HD11 ' A' ' 114' ' ' LEU . 2.0 mt-10 -69.2 -35.68 76.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.07 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -82.73 -28.62 30.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.076 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 1.1 tp -56.63 -46.99 80.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.052 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 27.8 ttm -74.95 -18.54 60.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.281 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.25 -66.37 0.47 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.248 -179.737 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 27.1 p-10 -56.66 -21.09 24.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.664 -179.62 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -91.86 -25.89 21.2 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.568 -0.825 . . . . 0.0 112.489 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -77.95 93.39 4.42 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.82 0.343 . . . . 0.0 111.022 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 16.2 mmtt -91.47 -25.29 19.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.978 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -84.92 -18.72 33.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.105 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 7.5 t30 67.77 30.36 6.39 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.873 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 22.1 p-10 -101.94 14.76 31.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.181 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 65.98 21.66 69.85 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.698 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 46.1 mtt180 -157.06 159.68 38.18 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.895 0.379 . . . . 0.0 110.994 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 21.2 mt -117.93 144.7 25.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.14 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 149' ' ' ASP . . . . . 0.443 ' HB3' ' CD2' ' A' ' 111' ' ' TYR . 2.2 p30 -134.24 167.74 20.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.738 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 150' ' ' TYR . . . . . 0.461 ' O ' ' HG ' ' A' ' 154' ' ' LEU . 63.4 t80 -59.92 -26.43 65.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.37 -179.732 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.81 -62.05 1.54 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.811 0.339 . . . . 0.0 111.212 -179.686 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -69.34 -22.12 63.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.021 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 153' ' ' PHE . . . . . 0.454 ' CZ ' ' CG ' ' A' ' 157' ' ' MET . 19.4 t80 -66.54 -30.89 71.31 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.793 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' A' ' 150' ' ' TYR . 11.7 mt -57.75 -30.17 65.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.047 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -86.75 -28.38 23.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.999 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 156' ' ' PHE . . . . . 0.827 ' O ' HG22 ' A' ' 160' ' ' VAL . 17.9 t80 -76.45 -36.19 58.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.827 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 157' ' ' MET . . . . . 0.467 ' HG3' HD22 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -82.47 -2.07 52.22 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.367 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 5.9 tttt -89.6 49.96 1.83 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.821 0.344 . . . . 0.0 110.994 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 103.99 76.93 1.14 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.377 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 160' ' ' VAL . . . . . 0.827 HG22 ' O ' ' A' ' 156' ' ' PHE . 4.4 t . . . . . 0 C--N 1.329 -0.324 0 CA-C-O 120.847 0.356 . . . . 0.0 110.947 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.952 0.406 . . . . 0.0 110.583 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -60.44 -23.4 64.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.659 179.648 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.86 -14.92 60.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.276 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 55.4 mt -52.42 -24.04 7.11 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.565 -179.691 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.5 t -62.29 -46.12 90.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.855 0.359 . . . . 0.0 110.87 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -63.98 -31.98 73.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.82 -27.68 62.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.006 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.429 ' CZ ' ' HA ' ' A' ' 149' ' ' ASP . 47.6 t80 -59.97 -54.27 48.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.054 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 1.2 mtp85 -56.59 -35.11 67.86 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.806 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 18.0 mmm -59.75 -23.26 63.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.958 179.691 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.439 ' HB3' HD13 ' A' ' 112' ' ' ILE . 9.5 m-85 -94.11 -20.33 20.0 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.039 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -84.5 149.07 26.18 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.793 0.33 . . . . 0.0 110.888 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.445 ' HG3' HD12 ' A' ' 119' ' ' ILE . 1.4 mmtm -99.31 -33.81 10.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.873 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.402 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 12.2 p-10 -106.86 -18.32 13.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.191 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.402 ' HB3' ' O ' ' A' ' 107' ' ' ASN . . . 66.82 63.6 0.48 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.856 0.36 . . . . 0.0 111.049 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -108.7 -25.81 10.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.932 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 125.21 -8.14 8.0 Favored Glycine 0 CA--C 1.518 0.268 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.781 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.438 ' CD2' ' HB3' ' A' ' 149' ' ' ASP . 13.9 m-85 -143.21 145.96 33.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.831 0.348 . . . . 0.0 110.781 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.481 HG22 ' N ' ' A' ' 113' ' ' ASP . 4.6 mt -128.29 158.1 40.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.147 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' ASP . . . . . 0.481 ' N ' HG22 ' A' ' 112' ' ' ILE . 2.7 p30 -138.88 -176.87 4.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.848 -179.819 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 5.5 tt -62.01 -27.65 69.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.03 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -67.4 -59.26 3.54 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.88 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -62.86 -49.95 72.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.954 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.786 HD22 ' SD ' ' A' ' 137' ' ' MET . 22.3 tp -52.57 -24.76 8.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.359 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 9.7 tttp -76.23 -25.54 55.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.995 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.445 HD12 ' HG3' ' A' ' 106' ' ' LYS . 30.4 mt -76.26 -33.55 24.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.749 -179.488 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -82.59 -35.98 26.6 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 111.692 0.256 . . . . 0.0 111.692 -179.314 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.671 HD12 ' N ' ' A' ' 122' ' ' GLN . 4.6 pp -76.8 -33.15 58.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.543 0.211 . . . . 0.0 111.465 -179.51 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 122' ' ' GLN . . . . . 0.671 ' N ' HD12 ' A' ' 121' ' ' LEU . 3.9 pt20 -63.18 -41.04 99.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.072 0.463 . . . . 0.0 110.525 179.787 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.404 ' N ' ' HG3' ' A' ' 122' ' ' GLN . . . -48.5 -31.8 6.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.242 179.793 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 26.2 p -56.79 -176.71 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.57 179.652 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -114.32 17.97 18.59 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.667 -0.777 . . . . 0.0 112.64 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -101.56 -169.02 1.63 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.696 0.284 . . . . 0.0 110.791 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 68.2 p -119.76 108.96 15.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.817 0.342 . . . . 0.0 110.944 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.471 HG13 HD13 ' A' ' 121' ' ' LEU . 21.5 mm -104.71 141.13 20.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.039 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 67.8 p -105.05 154.72 19.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.938 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -58.94 -30.9 68.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.847 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -75.1 -32.88 61.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.897 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -67.54 -42.73 82.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.029 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.439 HD13 HD21 ' A' ' 121' ' ' LEU . 19.0 mt -66.29 -26.37 37.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.365 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -72.05 -31.18 65.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -80.56 -30.49 37.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.999 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.521 HD22 HD21 ' A' ' 117' ' ' LEU . 0.2 OUTLIER -59.2 -49.07 79.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.986 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 137' ' ' MET . . . . . 0.786 ' SD ' HD22 ' A' ' 117' ' ' LEU . 45.8 mmm -75.4 -23.02 57.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.159 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 4.4 tptt -56.79 -67.06 0.34 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.785 0.326 . . . . 0.0 111.112 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 29.1 p-10 -59.8 -19.25 49.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.627 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -86.94 -37.9 8.23 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.469 -0.872 . . . . 0.0 112.294 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -67.55 97.27 0.58 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.857 0.361 . . . . 0.0 110.926 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 6.8 mmtm -81.92 -23.9 35.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.962 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 19.0 p-10 -104.45 -7.95 19.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.156 179.728 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 10.5 m120 62.46 39.11 12.19 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-O 120.758 0.313 . . . . 0.0 111.162 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 50.0 p-10 -97.07 13.92 27.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.231 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 68.66 23.6 75.47 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.778 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 8.2 mtm-85 -157.19 -171.11 3.49 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.801 0.334 . . . . 0.0 111.039 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 47.1 mt -148.68 141.81 18.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.857 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 149' ' ' ASP . . . . . 0.438 ' HB3' ' CD2' ' A' ' 111' ' ' TYR . 4.5 p30 -134.44 169.91 16.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.005 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 150' ' ' TYR . . . . . 0.693 ' O ' HD23 ' A' ' 154' ' ' LEU . 48.7 t80 -60.03 -24.29 64.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.298 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.62 -61.08 1.97 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.93 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -74.08 -22.81 59.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.182 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 27.8 t80 -63.51 -35.09 79.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.814 0.34 . . . . 0.0 110.93 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.693 HD23 ' O ' ' A' ' 150' ' ' TYR . 2.9 mm? -64.54 -24.73 67.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.109 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -87.92 -36.09 17.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.879 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 156' ' ' PHE . . . . . 0.439 ' CD1' HG11 ' A' ' 160' ' ' VAL . 14.5 t80 -58.99 -34.95 72.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.8 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.44 15.63 17.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.092 179.721 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 8.0 tttp -92.03 34.25 1.02 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.269 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 100.21 80.46 1.52 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.563 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 160' ' ' VAL . . . . . 0.439 HG11 ' CD1' ' A' ' 156' ' ' PHE . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.328 0 CA-C-O 120.834 0.35 . . . . 0.0 111.192 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.842 0.353 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -60.33 -30.06 69.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.058 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -91.07 20.63 4.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.475 -179.814 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 14.3 mt -75.68 -30.7 59.47 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.811 0.339 . . . . 0.0 110.9 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 42.6 t -60.5 -31.96 70.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.0 -35.78 72.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.949 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' A' ' 100' ' ' LEU . 14.7 mt -67.36 -29.12 68.58 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.945 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -58.65 -50.78 72.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.964 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 25.1 mtt180 -59.44 -31.5 69.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.949 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -67.27 -20.5 65.65 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.067 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.524 ' HB3' HD13 ' A' ' 112' ' ' ILE . 6.6 m-85 -91.28 -27.87 18.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.721 0.296 . . . . 0.0 110.972 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.46 152.3 39.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.877 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 2.8 tptt -95.92 -40.05 9.49 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.013 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 12.2 p-10 -120.15 3.14 10.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.554 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 58.07 73.67 0.46 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.911 0.386 . . . . 0.0 111.1 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -111.7 -12.15 13.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.346 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 108.83 -8.82 34.17 Favored Glycine 0 C--N 1.332 0.324 0 C-N-CA 120.615 -0.802 . . . . 0.0 112.726 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.427 ' CD2' ' HB3' ' A' ' 149' ' ' ASP . 19.4 m-85 -151.09 156.51 41.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.798 0.332 . . . . 0.0 110.593 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.524 HD13 ' HB3' ' A' ' 104' ' ' PHE . 15.9 mt -128.12 155.81 39.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.188 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' ASP . . . . . 0.434 ' N ' HG22 ' A' ' 112' ' ' ILE . 2.5 t0 -139.05 -169.15 2.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.971 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.428 HD13 ' HA ' ' A' ' 114' ' ' LEU . 4.0 mm? -64.63 -38.43 90.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.11 -179.848 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -61.24 -53.1 61.18 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.991 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -64.95 -55.79 17.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.915 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.63 HD22 ' HG2' ' A' ' 137' ' ' MET . 27.2 tp -51.64 -27.9 12.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.254 -179.826 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 16.6 tttm -72.22 -35.16 68.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.943 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 19.5 mt -74.93 -32.12 26.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.15 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 6.6 tmm? -67.67 -39.79 84.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.99 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.403 HD13 HG23 ' A' ' 133' ' ' ILE . 0.9 OUTLIER -71.84 -19.92 61.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.229 -179.877 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -65.3 -25.77 67.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.699 0.285 . . . . 0.0 110.828 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -56.26 -46.08 79.82 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.076 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 16.0 p -56.61 175.13 0.12 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.776 179.733 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -114.15 21.36 15.5 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.627 -0.797 . . . . 0.0 112.574 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -108.07 128.85 55.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.819 0.343 . . . . 0.0 110.754 -179.771 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 49.3 p -63.78 98.54 0.2 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.082 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.512 HG22 ' N ' ' A' ' 129' ' ' THR . 27.9 mm -99.08 160.23 3.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.87 179.814 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 129' ' ' THR . . . . . 0.512 ' N ' HG22 ' A' ' 128' ' ' ILE . 0.7 OUTLIER -109.33 155.38 21.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.851 179.87 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 130' ' ' GLU . . . . . 0.469 ' HA ' HD12 ' A' ' 133' ' ' ILE . 2.2 pt-20 -59.17 -29.81 67.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.909 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -72.46 -31.47 65.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.928 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.81 -46.79 74.11 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.967 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.469 HD12 ' HA ' ' A' ' 130' ' ' GLU . 5.0 mt -62.84 -19.36 23.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.438 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -72.14 -30.21 64.8 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.799 0.333 . . . . 0.0 110.983 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -65.31 -37.37 86.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.846 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 1.3 mt -59.65 -49.22 78.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.826 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 137' ' ' MET . . . . . 0.63 ' HG2' HD22 ' A' ' 117' ' ' LEU . 0.1 OUTLIER -67.31 -28.02 67.65 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.966 -179.941 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -58.0 -71.46 0.11 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.091 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 139' ' ' ASP . . . . . 0.404 ' OD1' ' N ' ' A' ' 140' ' ' GLY . 30.1 p-10 -60.1 -22.12 62.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.427 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 140' ' ' GLY . . . . . 0.404 ' N ' ' OD1' ' A' ' 139' ' ' ASP . . . -78.23 -24.9 62.63 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.386 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 29.8 t0 -87.14 132.4 33.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.788 0.328 . . . . 0.0 110.896 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 3.1 mmtm -109.11 -26.14 10.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.024 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 20.1 p-10 -106.9 1.66 24.78 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.286 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 3.2 t30 61.85 20.73 11.7 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.284 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 20.9 p-10 -63.71 -39.61 94.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.991 0.424 . . . . 0.0 110.279 179.428 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 114.23 19.12 6.41 Favored Glycine 0 CA--C 1.518 0.243 0 C-N-CA 120.856 -0.687 . . . . 0.0 112.576 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 9.3 mtt-85 -154.23 172.47 17.57 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.811 0.338 . . . . 0.0 110.792 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 27.8 mm -126.55 141.13 46.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.134 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 149' ' ' ASP . . . . . 0.427 ' HB3' ' CD2' ' A' ' 111' ' ' TYR . 2.1 p30 -134.4 -176.13 4.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.021 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 150' ' ' TYR . . . . . 0.494 ' O ' HD23 ' A' ' 154' ' ' LEU . 62.3 t80 -66.02 -29.7 70.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.291 -179.654 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -77.94 -44.94 25.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.812 0.339 . . . . 0.0 111.001 -179.841 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -76.57 -12.98 60.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.444 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -81.69 -47.13 13.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.77 0.319 . . . . 0.0 111.054 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.494 HD23 ' O ' ' A' ' 150' ' ' TYR . 3.6 mm? -55.29 -27.38 46.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.073 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -83.98 -31.26 25.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.013 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 156' ' ' PHE . . . . . 0.743 ' CE1' HG11 ' A' ' 160' ' ' VAL . 9.4 t80 -68.61 -35.81 77.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.109 -179.808 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.23 7.59 27.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.208 179.773 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 32.8 tttm -89.94 41.35 1.04 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.729 0.3 . . . . 0.0 111.243 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 104.81 87.31 1.99 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.78 179.731 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 160' ' ' VAL . . . . . 0.743 HG11 ' CE1' ' A' ' 156' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.274 0 CA-C-O 120.908 0.385 . . . . 0.0 111.04 179.801 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.49 ' HA ' HD12 ' A' ' 97' ' ' LEU . 9.7 mt-10 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.884 0.374 . . . . 0.0 110.934 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -77.56 -13.28 59.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.948 179.663 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -84.41 -26.25 28.45 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.102 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.49 HD12 ' HA ' ' A' ' 94' ' ' GLU . 10.3 mt -67.72 -12.51 60.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.669 -179.674 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 96.8 p -71.46 -39.76 70.75 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.801 0.334 . . . . 0.0 111.002 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -75.66 -31.03 59.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.964 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 3.4 mt -68.83 -28.42 66.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.992 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.434 ' CZ ' ' HA ' ' A' ' 149' ' ' ASP . 77.2 t80 -59.83 -56.6 19.81 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.034 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.76 -31.42 64.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.859 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 65.4 mmm -64.5 -21.39 66.66 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.097 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -96.71 -24.58 15.89 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.97 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -79.4 153.06 29.99 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.996 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 5.2 mmtt -115.17 -50.91 2.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.846 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 30.6 m120 -75.05 -22.63 58.27 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.012 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 66.41 49.4 1.41 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.792 0.33 . . . . 0.0 111.024 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -101.14 -30.09 11.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.958 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 123.3 3.55 8.7 Favored Glycine 0 CA--C 1.519 0.303 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.918 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 26.6 m-85 -144.9 150.18 36.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.767 0.317 . . . . 0.0 110.819 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.455 HG22 ' N ' ' A' ' 113' ' ' ASP . 17.2 mt -128.83 156.25 41.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.99 0.424 . . . . 0.0 111.19 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' ASP . . . . . 0.455 ' N ' HG22 ' A' ' 112' ' ' ILE . 24.5 p-10 -147.02 -177.01 5.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.966 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.635 HD11 ' HA ' ' A' ' 134' ' ' GLU . 0.1 OUTLIER -60.1 -35.41 75.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.84 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -60.35 -52.04 66.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.845 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.757 ' HA ' HD12 ' A' ' 119' ' ' ILE . 1.9 tt0 -72.96 -45.48 57.77 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.145 -179.659 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.737 HD22 ' SD ' ' A' ' 137' ' ' MET . 11.4 tp -54.77 -42.07 71.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.504 -179.487 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.34 -26.18 68.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.318 -179.572 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.757 HD12 ' HA ' ' A' ' 116' ' ' GLU . 25.6 mt -74.66 -53.34 16.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.734 0.302 . . . . 0.0 111.138 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 7.6 ptm -57.66 -30.99 65.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.995 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.641 HD23 HD13 ' A' ' 128' ' ' ILE . 4.8 mp -68.2 -30.24 69.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.738 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -63.25 -23.95 67.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.728 179.636 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -57.18 -43.84 83.01 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.958 179.694 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 48.5 p -65.0 178.9 0.75 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.44 179.737 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -114.5 25.27 10.52 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.447 179.76 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -96.45 -174.46 3.05 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.851 0.358 . . . . 0.0 110.982 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 31.0 p -119.94 100.54 7.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.834 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.641 HD13 HD23 ' A' ' 121' ' ' LEU . 18.6 mt -112.85 147.68 16.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.155 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 1.8 t -112.8 163.87 14.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.775 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.68 -51.94 67.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.141 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.88 -26.95 27.36 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.179 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.94 -50.53 22.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.789 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.701 HG23 HD23 ' A' ' 117' ' ' LEU . 7.1 mt -62.02 -18.43 19.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.357 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 134' ' ' GLU . . . . . 0.635 ' HA ' HD11 ' A' ' 114' ' ' LEU . 17.9 mt-10 -63.14 -53.62 50.6 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.853 0.359 . . . . 0.0 110.967 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -64.67 -22.06 66.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.251 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.413 HD12 ' HA ' ' A' ' 133' ' ' ILE . 5.4 mt -63.16 -56.55 15.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.921 0.391 . . . . 0.0 110.888 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 137' ' ' MET . . . . . 0.737 ' SD ' HD22 ' A' ' 117' ' ' LEU . 37.0 mmm -74.46 -21.75 59.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.086 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 17.7 mttt -46.93 -61.39 1.89 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.497 -179.733 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 139' ' ' ASP . . . . . 0.44 ' OD2' ' CE1' ' A' ' 156' ' ' PHE . 0.0 OUTLIER -62.22 -37.26 84.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.78 0.324 . . . . 0.0 110.36 -179.777 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 140' ' ' GLY . . . . . 0.467 ' CA ' ' CD2' ' A' ' 156' ' ' PHE . . . -66.11 -26.73 72.51 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.541 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 52.6 t0 -73.31 107.9 5.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.9 0.381 . . . . 0.0 110.982 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 13.7 mmtp -106.27 -31.8 8.47 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.745 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 13.6 p-10 -91.59 -1.44 57.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.222 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 61.52 28.01 17.39 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.316 179.777 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 42.3 p-10 -89.92 -27.39 19.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.944 0.402 . . . . 0.0 110.774 179.659 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 98.22 28.31 8.2 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.554 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 147' ' ' ARG . . . . . 0.657 ' O ' HD13 ' A' ' 148' ' ' ILE . 57.3 mtt180 -148.17 -176.48 5.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.788 0.327 . . . . 0.0 111.025 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 148' ' ' ILE . . . . . 0.657 HD13 ' O ' ' A' ' 147' ' ' ARG . 30.7 mm -144.86 142.36 23.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.991 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 149' ' ' ASP . . . . . 0.434 ' HA ' ' CZ ' ' A' ' 101' ' ' PHE . 21.9 p30 -134.46 -175.71 3.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.847 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 150' ' ' TYR . . . . . 0.466 ' O ' HD23 ' A' ' 154' ' ' LEU . 67.3 t80 -57.78 -24.34 56.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.233 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 46.7 m-20 -81.24 -45.76 15.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.931 0.396 . . . . 0.0 110.872 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 152' ' ' GLU . . . . . 0.57 ' HB2' HG23 ' A' ' 148' ' ' ILE . 4.7 mm-40 -71.21 -28.5 64.25 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.048 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -72.39 -39.04 68.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.886 0.374 . . . . 0.0 110.958 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.466 HD23 ' O ' ' A' ' 150' ' ' TYR . 1.3 mm? -58.78 -29.49 66.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.946 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -88.74 -33.11 17.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.932 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 156' ' ' PHE . . . . . 0.467 ' CD2' ' CA ' ' A' ' 140' ' ' GLY . 1.0 OUTLIER -59.38 -40.5 86.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.831 -179.895 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.12 13.03 20.13 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.09 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 6.4 ttpp -92.23 36.05 0.99 Allowed 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.247 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 99.08 79.17 1.44 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.655 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-O 120.771 0.32 . . . . 0.0 111.075 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.945 0.402 . . . . 0.0 110.62 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -63.52 -21.74 66.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.708 179.547 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -77.31 -18.65 57.32 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.188 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.584 HD22 ' CE2' ' A' ' 153' ' ' PHE . 61.4 mt -55.73 -21.47 18.88 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.627 -179.679 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.8 t -62.3 -45.08 94.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.836 0.35 . . . . 0.0 110.845 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -63.27 -45.27 92.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.966 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.77 -26.06 63.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.203 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.435 ' CZ ' ' HA ' ' A' ' 149' ' ' ASP . 53.8 t80 -57.88 -53.33 59.44 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.064 -179.829 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -56.93 -34.62 68.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.961 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 3.9 mmt -61.54 -50.77 71.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.791 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.649 ' HB3' HD13 ' A' ' 112' ' ' ILE . 22.5 m-85 -62.98 -25.27 68.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.095 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -80.51 151.26 29.3 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.921 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.597 ' HD2' HG21 ' A' ' 119' ' ' ILE . 0.0 OUTLIER -113.06 -44.57 3.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.88 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.415 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 39.0 p30 -89.64 -19.21 25.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.193 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.415 ' HB3' ' O ' ' A' ' 107' ' ' ASN . . . 67.64 40.54 2.5 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.043 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 34.4 p-10 -86.32 -15.49 40.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.263 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 112.35 -2.44 26.59 Favored Glycine 0 CA--C 1.518 0.231 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.797 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -150.18 160.74 43.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.8 0.333 . . . . 0.0 110.898 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.764 HG23 ' HB3' ' A' ' 116' ' ' GLU . 13.6 mt -126.96 145.88 33.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.656 179.775 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -131.7 -177.52 4.46 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.971 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.64 HD22 ' HG3' ' A' ' 137' ' ' MET . 3.7 mm? -53.02 -34.29 55.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.147 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.36 -56.0 8.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.926 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.764 ' HB3' HG23 ' A' ' 112' ' ' ILE . 0.4 OUTLIER -63.31 -45.73 89.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 -179.893 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.441 HD21 ' HB3' ' A' ' 136' ' ' LEU . 16.6 tp -55.26 -39.48 69.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.161 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.25 -26.98 66.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.98 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.597 HG21 ' HD2' ' A' ' 106' ' ' LYS . 29.0 mm -66.6 -38.17 81.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.996 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 8.2 tmm? -70.0 -41.17 74.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.945 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.818 HD13 HD12 ' A' ' 133' ' ' ILE . 0.5 OUTLIER -69.85 -31.29 69.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.986 -179.943 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 5.7 mm-40 -65.05 -27.14 68.59 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.7 179.774 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -57.06 -43.95 82.53 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.03 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 57.3 p -61.42 174.54 0.71 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.624 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -114.19 27.11 9.26 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.472 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -99.2 -168.97 1.69 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.846 0.355 . . . . 0.0 110.827 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 17.6 p -119.43 109.3 15.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.663 HG21 ' CD1' ' A' ' 133' ' ' ILE . 3.6 mp -112.22 141.77 26.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.191 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 15.9 p -97.62 161.98 13.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.894 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -59.73 -33.95 72.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.946 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -73.11 -31.04 64.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.836 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.53 -40.52 93.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.871 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.818 HD12 HD13 ' A' ' 121' ' ' LEU . 25.6 mm -67.3 -24.25 31.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.37 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 134' ' ' GLU . . . . . 0.475 ' HA ' HD11 ' A' ' 114' ' ' LEU . 1.2 mt-10 -76.04 -30.22 58.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.035 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -67.93 -26.73 66.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.167 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.441 ' HB3' HD21 ' A' ' 117' ' ' LEU . 5.4 mt -68.13 -60.8 2.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.966 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 137' ' ' MET . . . . . 0.64 ' HG3' HD22 ' A' ' 114' ' ' LEU . 2.8 mmt -60.9 -28.0 68.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.023 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.62 -69.81 0.12 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.203 -179.795 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 29.3 p-10 -69.53 -20.84 63.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.604 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -73.17 -48.56 19.18 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.587 -0.816 . . . . 0.0 112.377 179.754 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -68.87 147.98 50.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.872 0.368 . . . . 0.0 111.032 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 25.5 mmtt -115.48 -13.41 11.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.403 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -113.86 9.94 17.64 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 116.693 -0.231 . . . . 0.0 111.385 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 55.56 26.9 9.63 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.73 0.3 . . . . 0.0 111.162 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -82.73 -30.2 29.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.801 179.749 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 99.84 27.5 7.88 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.748 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 147' ' ' ARG . . . . . 0.483 ' O ' HD13 ' A' ' 148' ' ' ILE . 3.9 mtt180 -144.08 179.01 7.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.806 0.336 . . . . 0.0 110.957 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 148' ' ' ILE . . . . . 0.483 HD13 ' O ' ' A' ' 147' ' ' ARG . 37.9 mm -146.09 144.21 20.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.907 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 149' ' ' ASP . . . . . 0.435 ' HA ' ' CZ ' ' A' ' 101' ' ' PHE . 3.1 p30 -138.01 -179.09 5.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 28.0 t80 -58.69 -26.58 64.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.092 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.49 -50.36 11.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.623 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -68.48 -27.4 66.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.954 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 153' ' ' PHE . . . . . 0.584 ' CE2' HD22 ' A' ' 97' ' ' LEU . 12.6 t80 -71.24 -47.31 57.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.924 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.16 -31.78 69.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.851 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -81.51 -42.9 19.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.779 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 156' ' ' PHE . . . . . 0.804 ' O ' HG22 ' A' ' 160' ' ' VAL . 29.2 t80 -68.93 -29.61 67.9 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.917 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 157' ' ' MET . . . . . 0.433 ' HG3' ' CE1' ' A' ' 153' ' ' PHE . 10.7 mmt -89.71 3.87 51.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.319 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 3.4 tttp -91.05 45.11 1.23 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.852 0.358 . . . . 0.0 111.01 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 103.86 71.02 0.84 Allowed Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.34 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 160' ' ' VAL . . . . . 0.804 HG22 ' O ' ' A' ' 156' ' ' PHE . 5.3 t . . . . . 0 C--N 1.328 -0.335 0 CA-C-O 120.82 0.343 . . . . 0.0 111.002 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.435 ' HB3' HD12 ' A' ' 97' ' ' LEU . 3.0 mm-40 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.752 0.31 . . . . 0.0 110.921 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -58.57 -27.74 64.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.074 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -87.71 -0.8 57.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.645 -179.815 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.435 HD12 ' HB3' ' A' ' 94' ' ' GLU . 26.0 mt -58.01 -26.15 62.03 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.722 0.296 . . . . 0.0 111.215 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 21.7 p -57.2 -30.12 64.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.837 0.351 . . . . 0.0 111.159 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -73.12 -34.74 66.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.022 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.422 ' O ' ' HG3' ' A' ' 103' ' ' MET . 10.0 mt -69.47 -22.78 63.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.139 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -73.8 -42.35 61.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.403 -179.407 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.92 -53.0 63.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.881 0.372 . . . . 0.0 111.202 -179.489 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' MET . . . . . 0.422 ' HG3' ' O ' ' A' ' 100' ' ' LEU . 0.0 OUTLIER -56.98 -43.58 81.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 -179.9 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -62.77 -32.82 74.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.401 ' HB2' HD11 ' A' ' 112' ' ' ILE . 24.3 t0 -85.12 93.08 8.55 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.78 179.791 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.516 ' HD3' HG21 ' A' ' 119' ' ' ILE . 6.7 tptt -54.76 -47.05 74.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.942 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -74.39 -29.94 61.74 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 60.45 51.6 5.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.152 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -111.7 4.28 18.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.388 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 103.37 -15.58 53.74 Favored Glycine 0 C--N 1.332 0.351 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.757 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.42 ' CD2' ' HB3' ' A' ' 149' ' ' ASP . 13.3 m-85 -142.21 149.19 39.33 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.749 0.309 . . . . 0.0 110.838 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.404 HG22 ' N ' ' A' ' 113' ' ' ASP . 25.7 mt -127.84 154.23 38.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.109 179.785 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' ASP . . . . . 0.404 ' N ' HG22 ' A' ' 112' ' ' ILE . 13.4 p-10 -135.45 -175.52 3.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.024 -179.831 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 1.8 tp -59.24 -34.48 72.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.103 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.39 -53.85 51.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.81 -46.68 68.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.754 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 18.8 tp -55.72 -30.35 61.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.021 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.487 ' HG2' HD13 ' A' ' 133' ' ' ILE . 0.0 OUTLIER -61.7 -30.73 70.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.949 179.931 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.516 HG21 ' HD3' ' A' ' 106' ' ' LYS . 20.7 mt -74.01 -36.59 45.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.121 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 3.6 tmm? -61.73 -39.05 90.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.873 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.415 HD13 ' HA ' ' A' ' 121' ' ' LEU . 4.5 mm? -72.65 -29.47 63.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.05 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 10.3 mm-40 -61.16 -25.4 66.98 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.894 179.771 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -56.69 -46.31 81.25 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.102 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 16.1 p -65.24 175.28 1.71 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.627 179.772 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -114.04 27.51 9.06 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.413 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -101.15 -173.71 2.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.749 0.309 . . . . 0.0 110.837 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 32.9 p -119.64 108.33 14.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.853 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.405 HD13 ' HB3' ' A' ' 121' ' ' LEU . 3.1 mp -112.41 143.19 22.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.094 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 63.9 p -90.98 155.94 18.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.935 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -66.53 -30.25 70.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.805 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.62 -31.86 60.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.95 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.52 -34.43 75.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.917 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.515 ' HA ' HD12 ' A' ' 136' ' ' LEU . 18.5 mt -72.09 -20.49 20.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.251 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -67.93 -28.5 67.54 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.92 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -73.64 -26.29 60.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.054 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.515 HD12 ' HA ' ' A' ' 133' ' ' ILE . 0.9 OUTLIER -60.48 -46.48 89.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.853 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.67 -28.68 64.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.023 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -53.76 -66.9 0.31 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.151 -179.762 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 139' ' ' ASP . . . . . 0.416 ' OD1' ' N ' ' A' ' 140' ' ' GLY . 17.0 p-10 -68.17 -34.24 75.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.337 -179.806 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 140' ' ' GLY . . . . . 0.428 ' HA2' ' CG ' ' A' ' 156' ' ' PHE . . . -66.81 -36.75 91.62 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.619 -0.801 . . . . 0.0 112.173 179.697 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 55.7 t0 -73.7 130.52 40.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.957 0.408 . . . . 0.0 110.88 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 142' ' ' LYS . . . . . 0.4 ' HD2' ' N ' ' A' ' 142' ' ' LYS . 0.0 OUTLIER -111.64 -24.67 9.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.081 -179.825 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 23.1 p-10 -105.82 5.53 30.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.265 179.791 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 19.2 m-20 58.49 29.2 18.01 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.731 0.3 . . . . 0.0 111.108 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 37.7 p-10 -84.8 -0.35 53.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.408 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 72.81 24.12 76.64 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.569 -0.824 . . . . 0.0 112.693 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 15.9 mtt180 -152.9 -169.06 3.22 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.749 0.309 . . . . 0.0 110.85 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 148' ' ' ILE . . . . . 0.42 HG23 ' OE2' ' A' ' 152' ' ' GLU . 33.1 mt -148.26 138.25 16.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.245 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 149' ' ' ASP . . . . . 0.42 ' HB3' ' CD2' ' A' ' 111' ' ' TYR . 9.0 p-10 -134.06 -177.05 4.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.787 179.779 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 66.3 t80 -64.46 -27.09 68.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.58 -179.486 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -67.21 -61.46 1.91 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.786 0.327 . . . . 0.0 110.986 -179.647 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 152' ' ' GLU . . . . . 0.42 ' OE2' HG23 ' A' ' 148' ' ' ILE . 7.1 pt-20 -76.46 -6.64 52.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.549 -179.788 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 153' ' ' PHE . . . . . 0.429 ' CE2' ' HB3' ' A' ' 97' ' ' LEU . 16.9 t80 -76.33 -48.52 19.71 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-O 120.786 0.327 . . . . 0.0 110.498 179.703 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.25 -28.99 67.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -83.97 -37.55 22.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.799 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 156' ' ' PHE . . . . . 0.678 ' O ' HG13 ' A' ' 160' ' ' VAL . 12.5 t80 -66.83 -36.85 83.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.763 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.24 6.72 31.81 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.103 179.721 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -91.02 43.31 1.14 Allowed 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.824 0.345 . . . . 0.0 111.094 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 105.0 87.73 2.01 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.671 179.693 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 160' ' ' VAL . . . . . 0.678 HG13 ' O ' ' A' ' 156' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.335 0 CA-C-O 120.812 0.339 . . . . 0.0 111.067 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.633 ' HA ' HD12 ' A' ' 97' ' ' LEU . 3.9 mt-10 . . . . . 0 CA--C 1.529 0.162 0 CA-C-O 120.828 0.347 . . . . 0.0 110.807 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.14 -29.09 65.92 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.174 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.58 -19.08 50.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.302 -179.832 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.633 HD12 ' HA ' ' A' ' 94' ' ' GLU . 10.9 mt -52.51 -26.71 13.79 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.811 0.339 . . . . 0.0 111.218 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.4 t -71.12 -39.37 72.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.922 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 57.2 m-20 -60.46 -45.88 92.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.903 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.4 -24.75 67.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.064 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.445 ' CE2' ' HA ' ' A' ' 149' ' ' ASP . 55.1 t80 -58.62 -54.26 49.01 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.852 0.358 . . . . 0.0 111.198 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.78 -33.0 66.2 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.892 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 87.1 mtp -62.64 -20.75 65.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.95 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.583 ' HB3' HD13 ' A' ' 112' ' ' ILE . 8.5 m-85 -89.87 -22.11 22.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.1 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -79.21 149.86 31.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.842 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.54 -36.82 8.65 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.92 -179.853 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 9.2 p-10 -120.0 6.31 10.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.56 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 56.1 75.34 0.34 Allowed 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.797 0.332 . . . . 0.0 111.176 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 16.6 p-10 -111.85 -19.53 12.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.237 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 112.17 -7.61 27.01 Favored Glycine 0 CA--C 1.519 0.299 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.708 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.427 ' CD2' ' HB3' ' A' ' 149' ' ' ASP . 19.5 m-85 -149.32 158.86 44.53 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.731 0.301 . . . . 0.0 110.548 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.583 HD13 ' HB3' ' A' ' 104' ' ' PHE . 4.1 mt -127.06 146.98 32.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.98 0.419 . . . . 0.0 111.081 179.776 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -136.29 -177.41 4.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.981 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.608 HD21 ' HA ' ' A' ' 134' ' ' GLU . 1.5 mt -58.28 -30.92 66.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.963 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.64 -55.72 21.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.001 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -69.79 -46.38 65.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.865 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.645 HD23 ' CG2' ' A' ' 133' ' ' ILE . 11.7 tp -52.75 -28.53 22.62 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.158 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 5.3 tttt -75.98 -30.25 58.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.841 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 44.9 mt -69.64 -42.82 80.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.135 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 5.4 ptm -68.84 -31.15 69.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.862 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.666 HD12 HG12 ' A' ' 128' ' ' ILE . 0.4 OUTLIER -65.03 -30.0 70.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.796 179.9 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 10.0 mm100 -56.76 -23.43 42.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.759 179.731 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -55.55 -41.91 73.91 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.025 179.697 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 124' ' ' THR . . . . . 0.503 ' OG1' HD11 ' A' ' 128' ' ' ILE . 29.8 p -59.4 158.46 9.43 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.682 179.716 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -78.39 -51.54 5.6 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.555 -0.831 . . . . 0.0 112.302 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.79 -179.67 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.868 0.366 . . . . 0.0 111.228 -179.792 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 81.6 p -111.12 124.62 52.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.95 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.666 HG12 HD12 ' A' ' 121' ' ' LEU . 3.5 mp -97.22 161.11 2.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.001 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 129' ' ' THR . . . . . 0.5 ' N ' HG22 ' A' ' 128' ' ' ILE . 4.3 m -107.13 158.45 17.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.851 179.788 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.71 -29.42 68.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.838 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -78.34 -29.1 47.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.998 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -70.57 -33.1 70.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.998 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.645 ' CG2' HD23 ' A' ' 117' ' ' LEU . 21.7 mt -76.64 -14.82 14.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.478 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 134' ' ' GLU . . . . . 0.608 ' HA ' HD21 ' A' ' 114' ' ' LEU . 0.6 OUTLIER -67.54 -56.19 10.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.904 0.383 . . . . 0.0 111.055 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -57.63 -22.2 44.01 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.273 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.437 ' HB3' HD21 ' A' ' 117' ' ' LEU . 0.2 OUTLIER -58.62 -50.3 74.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.845 0.355 . . . . 0.0 111.047 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.38 -16.52 60.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.372 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 1.4 tmtt? -56.04 -73.08 0.06 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.799 0.333 . . . . 0.0 111.195 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 25.7 p-10 -57.29 -22.82 44.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.539 -179.669 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -85.75 -22.7 49.06 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.612 -0.804 . . . . 0.0 112.624 179.801 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -84.23 132.44 34.65 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.82 0.343 . . . . 0.0 110.988 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -116.38 -20.22 9.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.35 -179.844 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 20.3 p-10 -107.15 1.55 24.2 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-O 120.691 0.282 . . . . 0.0 111.443 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 18.0 m-20 61.37 28.92 18.26 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.736 0.303 . . . . 0.0 111.138 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 40.0 p-10 -85.94 -30.59 22.68 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.039 0.447 . . . . 0.0 110.555 179.692 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 104.01 20.66 10.3 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.566 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 17.3 mtt85 -142.83 -174.22 4.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.931 0.396 . . . . 0.0 110.656 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 39.5 mt -145.2 138.44 21.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.055 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 149' ' ' ASP . . . . . 0.445 ' HA ' ' CE2' ' A' ' 101' ' ' PHE . 4.7 p30 -134.14 169.43 17.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.76 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -58.33 -26.61 63.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.544 -179.593 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.76 -61.55 1.74 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.751 0.31 . . . . 0.0 111.168 -179.62 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -73.57 -15.38 61.29 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.517 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -70.82 -32.43 69.49 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.833 0.349 . . . . 0.0 110.873 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -66.5 -26.32 67.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.008 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -85.35 -33.28 22.08 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.8 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 156' ' ' PHE . . . . . 0.551 ' CD1' HG11 ' A' ' 160' ' ' VAL . 11.4 t80 -61.83 -26.81 68.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.817 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -97.59 16.76 19.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.151 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -91.59 32.53 1.08 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.407 -179.717 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 102.21 75.38 1.1 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.594 -0.812 . . . . 0.0 112.699 179.724 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 160' ' ' VAL . . . . . 0.551 HG11 ' CD1' ' A' ' 156' ' ' PHE . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-O 120.858 0.361 . . . . 0.0 111.138 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 . . . . . 0 C--O 1.23 0.047 0 CA-C-O 120.678 0.275 . . . . 0.0 111.365 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -53.6 -28.69 33.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.101 -179.773 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -91.44 23.7 3.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.252 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.496 HD22 ' CE2' ' A' ' 153' ' ' PHE . 9.7 mt -61.2 -24.28 66.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.697 0.284 . . . . 0.0 111.12 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.9 -32.7 71.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.881 0.372 . . . . 0.0 110.906 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.402 ' O ' ' HG3' ' A' ' 102' ' ' ARG . 10.9 t70 -75.67 -25.1 56.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.049 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.418 ' O ' ' CG ' ' A' ' 103' ' ' MET . 0.7 OUTLIER -84.28 -14.63 49.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.44 -179.773 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.431 ' CE2' ' HA ' ' A' ' 149' ' ' ASP . 38.5 t80 -74.47 -33.69 62.94 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 111.855 0.317 . . . . 0.0 111.855 -179.155 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.402 ' HG3' ' O ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER -59.89 -46.34 89.64 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 111.822 0.305 . . . . 0.0 111.822 -179.061 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 103' ' ' MET . . . . . 0.418 ' CG ' ' O ' ' A' ' 100' ' ' LEU . 4.4 ptp -54.52 -43.39 71.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.86 0.362 . . . . 0.0 111.022 -179.643 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -58.83 -30.62 67.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.835 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -78.92 150.42 32.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.814 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.54 ' HD3' HG21 ' A' ' 119' ' ' ILE . 2.9 tptp -95.45 -39.9 9.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.975 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 21.4 p30 -120.03 12.71 12.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.382 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 53.51 74.52 0.31 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.812 0.339 . . . . 0.0 111.236 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -111.5 -24.93 9.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.133 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 113.65 -3.47 24.66 Favored Glycine 0 CA--C 1.518 0.227 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.844 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.447 ' CD2' ' HB3' ' A' ' 149' ' ' ASP . 32.6 m-85 -147.42 153.53 39.71 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.733 0.301 . . . . 0.0 110.653 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 2.0 mt -127.68 151.1 34.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.9 0.381 . . . . 0.0 111.232 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -143.18 -177.32 5.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.8 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.506 HD22 ' SD ' ' A' ' 137' ' ' MET . 4.1 mm? -58.08 -22.83 52.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.172 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 58.9 mt-10 -67.26 -59.02 3.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.771 0.32 . . . . 0.0 111.046 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.862 ' HA ' HD12 ' A' ' 119' ' ' ILE . 6.2 mt-10 -71.98 -37.18 69.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.959 -179.769 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.737 HD23 HG22 ' A' ' 133' ' ' ILE . 10.9 tp -56.02 -41.83 75.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.248 -179.743 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.0 -28.27 67.28 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.14 -179.759 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.862 HD12 ' HA ' ' A' ' 116' ' ' GLU . 21.6 mt -74.87 -52.06 20.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.173 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 120' ' ' MET . . . . . 0.463 ' CE ' HD22 ' A' ' 121' ' ' LEU . 7.2 ptm -59.45 -32.68 70.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.008 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.661 HD23 ' O ' ' A' ' 117' ' ' LEU . 3.5 mm? -67.75 -28.28 67.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.032 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -66.02 -25.64 67.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.702 179.718 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -57.98 -46.78 84.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.981 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 44.7 p -57.98 171.83 0.48 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.648 179.731 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -114.82 19.36 15.94 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.541 179.675 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -91.29 -168.46 2.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.77 0.319 . . . . 0.0 110.985 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 77.2 p -119.82 97.56 5.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.821 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 3.0 mp -112.14 145.02 18.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.166 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 129' ' ' THR . . . . . 0.477 HG23 ' H ' ' A' ' 132' ' ' ASP . 1.3 t -102.78 162.95 12.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.868 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.3 -29.65 70.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.945 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.27 -30.42 60.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.001 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 132' ' ' ASP . . . . . 0.477 ' H ' HG23 ' A' ' 129' ' ' THR . 1.5 m-20 -66.68 -48.74 68.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.007 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.737 HG22 HD23 ' A' ' 117' ' ' LEU . 5.2 mt -60.95 -24.66 33.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.238 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 134' ' ' GLU . . . . . 0.427 ' HG2' HD11 ' A' ' 114' ' ' LEU . 0.9 OUTLIER -73.55 -29.59 62.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.904 0.383 . . . . 0.0 111.001 -179.931 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -77.37 -31.21 54.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.95 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.73 -45.39 89.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.986 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 137' ' ' MET . . . . . 0.54 ' CG ' HD22 ' A' ' 117' ' ' LEU . 1.8 mtp -71.3 -20.95 62.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.148 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.61 -70.23 0.1 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.148 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 23.3 p-10 -63.84 -25.97 68.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.315 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -78.09 -18.44 76.62 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.576 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 29.6 t0 -98.72 85.19 3.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.824 0.345 . . . . 0.0 110.997 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 6.6 mmtt -81.95 -20.58 38.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.091 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -91.77 -21.08 20.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.945 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 71.41 33.04 1.99 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.982 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 16.8 p-10 -94.91 16.4 16.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.167 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 64.08 15.45 58.46 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.949 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 20.3 mtm180 -156.03 -175.16 5.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.888 0.375 . . . . 0.0 110.986 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 46.6 mt -141.87 143.0 27.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.123 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 149' ' ' ASP . . . . . 0.447 ' HB3' ' CD2' ' A' ' 111' ' ' TYR . 50.6 p-10 -135.67 -171.98 2.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.825 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 24.1 t80 -63.26 -24.33 67.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.337 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -80.32 -48.73 12.55 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.982 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -71.49 -24.03 61.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.164 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 153' ' ' PHE . . . . . 0.496 ' CE2' HD22 ' A' ' 97' ' ' LEU . 12.2 t80 -81.52 -31.19 32.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.868 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.39 -36.22 80.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.892 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -83.72 -30.96 26.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.735 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 156' ' ' PHE . . . . . 0.631 ' CE1' HG11 ' A' ' 160' ' ' VAL . 13.5 t80 -63.2 -40.38 97.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.885 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 2.7 mmt -88.84 8.2 30.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.238 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.53 40.57 1.04 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.697 0.284 . . . . 0.0 111.108 -179.799 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 104.29 87.32 1.99 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.625 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 160' ' ' VAL . . . . . 0.631 HG11 ' CE1' ' A' ' 156' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.336 0 CA-C-O 120.759 0.314 . . . . 0.0 111.108 179.788 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.494 ' HG2' HD11 ' A' ' 154' ' ' LEU . 54.1 mt-10 . . . . . 0 CA--C 1.527 0.059 0 CA-C-O 120.851 0.358 . . . . 0.0 111.032 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -76.56 -9.36 58.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.991 179.675 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -89.29 -27.98 20.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.088 -179.82 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.712 HD22 ' HG3' ' A' ' 157' ' ' MET . 72.4 mt -69.46 -14.81 63.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.568 -179.717 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 11.7 t -72.39 -42.16 65.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.761 0.315 . . . . 0.0 110.989 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.98 -27.83 63.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.991 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -78.67 -28.6 45.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.039 -179.824 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.433 ' CZ ' ' HA ' ' A' ' 149' ' ' ASP . 79.2 t80 -62.76 -54.45 38.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.008 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -54.2 -37.5 64.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.912 0.387 . . . . 0.0 110.855 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 61.1 mtt -54.74 -30.53 56.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -84.65 -22.44 29.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.966 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.56 151.23 24.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.913 0.387 . . . . 0.0 110.753 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.699 ' HD3' HG21 ' A' ' 119' ' ' ILE . 6.2 tptm -103.66 -37.41 7.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.846 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 18.5 p-10 -109.36 -12.58 14.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.283 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 64.22 60.05 1.0 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.954 0.407 . . . . 0.0 111.101 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -100.27 -23.74 14.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.046 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 125.32 -2.15 8.26 Favored Glycine 0 CA--C 1.519 0.303 0 C-N-CA 120.619 -0.801 . . . . 0.0 112.817 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.455 ' CD2' ' HB3' ' A' ' 149' ' ' ASP . 54.1 m-85 -151.78 156.38 40.11 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.951 0.405 . . . . 0.0 110.81 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 2.2 mt -127.3 148.84 32.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.699 179.533 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -133.36 -175.17 3.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.972 -179.708 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.71 -32.95 67.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.089 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -66.34 -50.79 62.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.961 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -71.99 -48.15 46.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.92 0.391 . . . . 0.0 110.889 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.642 HD21 ' HB3' ' A' ' 136' ' ' LEU . 15.7 tp -51.29 -26.52 7.53 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.32 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.471 ' HA ' HD21 ' A' ' 121' ' ' LEU . 2.7 tttt -76.84 -31.68 57.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.032 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.699 HG21 ' HD3' ' A' ' 106' ' ' LYS . 33.9 mt -76.99 -41.56 31.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.863 -179.386 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 120' ' ' MET . . . . . 0.462 ' HE2' ' HB3' ' A' ' 121' ' ' LEU . 0.0 OUTLIER -65.37 -37.15 86.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.554 -0.293 . . . . 0.0 111.701 -179.236 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.709 HD12 ' N ' ' A' ' 122' ' ' GLN . 3.5 pp -67.53 -19.75 65.33 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.58 0.228 . . . . 0.0 111.383 -179.745 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 122' ' ' GLN . . . . . 0.709 ' N ' HD12 ' A' ' 121' ' ' LEU . 3.1 mm-40 -57.8 -24.02 55.28 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.79 0.329 . . . . 0.0 110.871 179.785 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -55.14 -42.3 72.87 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.042 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 11.9 p -59.5 159.44 8.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.705 179.694 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -77.27 -51.07 6.31 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.499 -0.858 . . . . 0.0 112.322 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -58.89 174.38 0.36 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.901 0.381 . . . . 0.0 111.17 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 1.7 p -111.83 124.83 53.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.971 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.491 HG22 ' N ' ' A' ' 129' ' ' THR . 26.1 mm -87.49 160.08 2.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.069 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 129' ' ' THR . . . . . 0.538 HG23 ' H ' ' A' ' 132' ' ' ASP . 12.5 t -115.29 166.62 11.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.859 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 130' ' ' GLU . . . . . 0.602 ' HA ' HD12 ' A' ' 133' ' ' ILE . 0.2 OUTLIER -57.97 -31.56 67.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.917 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -69.76 -42.94 73.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.887 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 132' ' ' ASP . . . . . 0.538 ' H ' HG23 ' A' ' 129' ' ' THR . 20.4 m-20 -66.76 -37.41 84.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.072 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.602 HD12 ' HA ' ' A' ' 130' ' ' GLU . 9.1 mt -69.65 -33.86 58.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.081 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -68.44 -55.23 12.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.939 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.11 -25.47 68.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.244 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.642 ' HB3' HD21 ' A' ' 117' ' ' LEU . 0.1 OUTLIER -60.9 -52.22 65.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.16 -179.795 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 6.0 ttm -74.63 -19.01 60.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.33 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.72 -70.96 0.13 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.766 0.317 . . . . 0.0 111.106 -179.835 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 24.8 p-10 -55.92 -21.82 22.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.732 -179.693 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -87.71 -29.2 21.88 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.613 -0.803 . . . . 0.0 112.359 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -86.08 113.78 22.42 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.907 0.384 . . . . 0.0 110.915 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -106.66 -13.04 15.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.268 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -94.45 -10.69 31.59 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.72 0.295 . . . . 0.0 111.329 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 15.8 m-20 63.58 30.25 15.07 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 120.784 0.326 . . . . 0.0 110.924 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 40.0 p-10 -102.71 13.33 34.7 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.281 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 64.67 32.91 85.78 Favored Glycine 0 C--N 1.33 0.23 0 C-N-CA 120.884 -0.674 . . . . 0.0 113.199 179.435 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 147' ' ' ARG . . . . . 0.449 ' HD2' ' CD2' ' A' ' 111' ' ' TYR . 0.8 OUTLIER -160.88 179.71 8.26 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.981 0.42 . . . . 0.0 111.248 179.768 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 148' ' ' ILE . . . . . 0.438 HG22 ' N ' ' A' ' 149' ' ' ASP . 47.0 mt -138.94 155.48 27.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.885 179.737 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 149' ' ' ASP . . . . . 0.455 ' HB3' ' CD2' ' A' ' 111' ' ' TYR . 6.7 p30 -148.8 168.74 22.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.071 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 28.6 t80 -58.73 -24.13 61.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.298 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -70.05 -59.22 3.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.149 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -79.98 -11.67 59.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.476 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 153' ' ' PHE . . . . . 0.435 ' CE1' ' HG2' ' A' ' 157' ' ' MET . 11.4 t80 -75.05 -32.12 61.47 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.825 0.345 . . . . 0.0 110.82 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.494 HD11 ' HG2' ' A' ' 94' ' ' GLU . 0.3 OUTLIER -61.27 -28.84 69.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.999 179.934 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -86.9 -26.86 23.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.01 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 156' ' ' PHE . . . . . 0.617 ' O ' HG22 ' A' ' 160' ' ' VAL . 12.9 t80 -76.66 -29.91 56.57 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.809 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 157' ' ' MET . . . . . 0.712 ' HG3' HD22 ' A' ' 97' ' ' LEU . 1.5 mmt -83.32 -1.68 53.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.361 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 8.0 mtmm -88.85 49.72 1.83 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.918 0.389 . . . . 0.0 110.926 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 103.92 77.37 1.17 Allowed Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.403 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 160' ' ' VAL . . . . . 0.617 HG22 ' O ' ' A' ' 156' ' ' PHE . 2.2 t . . . . . 0 C--N 1.328 -0.362 0 CA-C-O 120.791 0.329 . . . . 0.0 111.081 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.572 ' HG2' HD11 ' A' ' 97' ' ' LEU . 17.1 mt-10 . . . . . 0 CA--C 1.528 0.123 0 CA-C-O 120.811 0.339 . . . . 0.0 111.076 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.25 -27.12 54.0 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.941 179.82 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.04 1.43 40.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.343 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.572 HD11 ' HG2' ' A' ' 94' ' ' GLU . 41.3 mt -58.95 -28.62 66.45 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.768 0.318 . . . . 0.0 111.013 -179.844 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.405 ' HA ' ' CE1' ' A' ' 150' ' ' TYR . 23.3 p -65.45 -33.47 76.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.976 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -74.99 -29.65 60.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.023 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 8.4 mt -75.21 -28.26 59.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.049 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.433 ' CZ ' ' HA ' ' A' ' 149' ' ' ASP . 56.4 t80 -64.6 -50.07 68.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.089 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -54.64 -36.16 64.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.044 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -60.68 -50.69 72.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.72 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.527 ' HB3' HD13 ' A' ' 112' ' ' ILE . 0.7 OUTLIER -60.63 -28.2 68.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.037 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.74 141.9 51.46 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.822 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.44 ' CE ' HG21 ' A' ' 119' ' ' ILE . 15.9 tptp -82.78 -49.95 9.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.068 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 45.9 p30 -120.05 17.03 12.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.312 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 50.81 72.13 0.37 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.831 0.348 . . . . 0.0 111.33 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -111.75 -2.78 15.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.498 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 97.79 -13.43 63.83 Favored Glycine 0 C--N 1.331 0.282 0 C-N-CA 120.576 -0.821 . . . . 0.0 112.709 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.422 ' CD2' ' HB3' ' A' ' 149' ' ' ASP . 23.4 m-85 -145.22 153.5 41.39 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.709 0.29 . . . . 0.0 110.729 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.527 HD13 ' HB3' ' A' ' 104' ' ' PHE . 8.4 mt -127.8 151.43 34.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.947 0.403 . . . . 0.0 111.131 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -133.05 -176.72 4.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.984 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.84 -44.25 97.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.987 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.12 -47.02 86.79 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.916 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.66 ' HA ' HD12 ' A' ' 119' ' ' ILE . 14.9 mt-10 -71.23 -51.06 26.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.798 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.576 HD21 ' HB3' ' A' ' 136' ' ' LEU . 12.5 tp -55.2 -31.14 61.19 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.085 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 15.4 tttt -67.34 -27.37 67.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.015 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.66 HD12 ' HA ' ' A' ' 116' ' ' GLU . 18.4 mt -72.86 -22.98 20.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.362 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 22.3 ttp -82.2 -34.25 29.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.292 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -73.34 -32.88 64.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.239 -179.668 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -64.43 -39.64 94.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.995 0.426 . . . . 0.0 110.56 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -48.7 -37.38 18.51 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.052 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 24.8 p -56.23 177.52 0.06 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.424 179.647 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -113.86 18.48 19.35 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.472 -0.87 . . . . 0.0 112.615 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 126' ' ' GLU . . . . . 0.44 ' CG ' HD11 ' A' ' 128' ' ' ILE . 13.9 pt-20 -101.73 -169.4 1.68 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.748 0.308 . . . . 0.0 110.676 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 68.4 p -119.79 102.55 8.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.745 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.44 HD11 ' CG ' ' A' ' 126' ' ' GLU . 1.7 mp -112.46 152.18 14.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.231 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 129' ' ' THR . . . . . 0.55 HG22 ' OD2' ' A' ' 132' ' ' ASP . 1.4 t -105.87 159.88 15.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.849 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -59.92 -29.72 68.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.006 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.49 -30.98 65.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.926 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 132' ' ' ASP . . . . . 0.55 ' OD2' HG22 ' A' ' 129' ' ' THR . 3.9 m-20 -69.03 -31.3 69.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.02 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 21.6 mm -70.59 -14.22 17.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.602 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -73.98 -36.53 64.56 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.747 0.308 . . . . 0.0 111.076 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.38 -26.07 67.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.136 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.576 ' HB3' HD21 ' A' ' 117' ' ' LEU . 0.9 OUTLIER -64.1 -56.48 14.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.013 -179.934 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 6.5 ttm -74.3 -20.55 60.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.23 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.21 -69.57 0.11 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.257 -179.851 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 139' ' ' ASP . . . . . 0.407 ' OD1' ' N ' ' A' ' 140' ' ' GLY . 26.9 p-10 -69.06 -24.43 64.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.432 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 140' ' ' GLY . . . . . 0.407 ' N ' ' OD1' ' A' ' 139' ' ' ASP . . . -77.08 -6.21 85.82 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.771 179.746 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 36.2 t0 -99.01 121.69 41.29 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.895 0.378 . . . . 0.0 111.024 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -113.34 -27.79 7.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.056 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 15.9 p30 -93.81 -13.15 27.65 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.233 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 144' ' ' ASN . . . . . 0.42 ' O ' ' ND2' ' A' ' 144' ' ' ASN . 0.1 OUTLIER 70.22 29.86 3.58 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 120.865 0.364 . . . . 0.0 111.345 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 40.2 p-10 -89.75 -29.77 18.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.418 179.42 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 104.54 27.56 6.04 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.45 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 21.1 mtm180 -151.62 -178.24 6.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.964 0.412 . . . . 0.0 110.893 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 25.6 mt -140.12 135.7 37.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.103 179.65 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 149' ' ' ASP . . . . . 0.433 ' HA ' ' CZ ' ' A' ' 101' ' ' PHE . 4.8 p30 -134.39 172.55 12.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.845 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 150' ' ' TYR . . . . . 0.548 ' O ' HD23 ' A' ' 154' ' ' LEU . 11.2 t80 -59.91 -26.42 65.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.286 -179.783 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.5 -62.03 1.57 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.847 0.356 . . . . 0.0 111.022 -179.749 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -73.89 -18.95 60.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.328 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 153' ' ' PHE . . . . . 0.434 ' CE1' ' HG3' ' A' ' 157' ' ' MET . 8.4 t80 -68.18 -42.84 79.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.788 0.327 . . . . 0.0 110.762 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.548 HD23 ' O ' ' A' ' 150' ' ' TYR . 2.2 mm? -55.32 -29.15 57.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.064 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -85.69 -33.4 21.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.755 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 156' ' ' PHE . . . . . 0.692 ' O ' HG22 ' A' ' 160' ' ' VAL . 14.0 t80 -69.74 -29.11 66.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 157' ' ' MET . . . . . 0.434 ' HG3' ' CE1' ' A' ' 153' ' ' PHE . 0.9 OUTLIER -93.1 3.31 55.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.154 179.876 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 18.3 tttt -91.28 45.4 1.24 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.882 0.372 . . . . 0.0 111.016 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 104.11 69.39 0.78 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.676 -0.774 . . . . 0.0 112.381 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 160' ' ' VAL . . . . . 0.692 HG22 ' O ' ' A' ' 156' ' ' PHE . 4.2 t . . . . . 0 C--N 1.328 -0.355 0 CA-C-O 120.797 0.332 . . . . 0.0 111.07 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.401 ' O ' HD12 ' A' ' 97' ' ' LEU . 16.9 mt-10 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.974 0.416 . . . . 0.0 110.472 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -57.96 -22.42 49.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.686 179.639 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.418 ' OE1' HD12 ' A' ' 100' ' ' LEU . 0.0 OUTLIER -78.43 -9.32 59.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.355 179.9 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.409 HD22 ' CE2' ' A' ' 153' ' ' PHE . 19.3 mt -51.22 -25.81 6.1 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.473 -179.749 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 23.0 t -63.44 -37.53 87.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.794 0.33 . . . . 0.0 110.99 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -68.03 -44.21 77.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.075 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.418 HD12 ' OE1' ' A' ' 96' ' ' GLU . 0.2 OUTLIER -64.19 -23.92 67.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.115 -179.851 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.42 ' CZ ' ' HA ' ' A' ' 149' ' ' ASP . 63.3 t80 -63.83 -48.59 76.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.716 0.293 . . . . 0.0 111.098 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 17.1 mtp180 -56.49 -33.13 65.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.881 0.372 . . . . 0.0 111.01 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 2.3 mtt -59.77 -52.0 67.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.833 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.524 ' HB3' HD13 ' A' ' 112' ' ' ILE . 1.7 m-85 -66.64 -22.13 66.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.126 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.18 144.5 32.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.82 0.343 . . . . 0.0 110.862 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.9 tptt -110.57 -48.98 3.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.967 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.416 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 26.7 p-10 -84.89 -20.4 30.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.107 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.416 ' HB3' ' O ' ' A' ' 107' ' ' ASN . . . 67.56 45.04 1.59 Allowed 'General case' 0 C--O 1.233 0.189 0 CA-C-O 120.983 0.421 . . . . 0.0 111.074 -179.827 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 20.7 p-10 -95.79 -26.37 15.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.984 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 124.97 2.48 7.82 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.879 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.44 ' CD2' ' HB3' ' A' ' 149' ' ' ASP . 30.7 m-85 -150.36 157.07 42.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.743 0.306 . . . . 0.0 110.897 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.524 HD13 ' HB3' ' A' ' 104' ' ' PHE . 3.9 mt -127.66 148.94 32.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.956 0.408 . . . . 0.0 111.121 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -133.62 179.88 5.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.887 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.752 ' HA ' HD12 ' A' ' 117' ' ' LEU . 1.2 mp -56.37 -29.95 62.08 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.257 -179.829 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.14 -42.36 99.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.023 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.69 ' HA ' HD12 ' A' ' 119' ' ' ILE . 0.1 OUTLIER -71.56 -39.73 70.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.151 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.883 HD11 ' HG2' ' A' ' 137' ' ' MET . 38.5 mt -53.5 -44.81 69.37 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.904 ' HG2' HD13 ' A' ' 133' ' ' ILE . 0.3 OUTLIER -64.78 -34.54 78.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.512 179.644 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.69 HD12 ' HA ' ' A' ' 116' ' ' GLU . 16.0 mt -75.67 -57.24 6.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.216 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 1.3 ptm -58.48 -29.33 66.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.204 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 26.7 mt -72.63 -27.05 61.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.056 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -66.16 -25.76 67.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.824 0.345 . . . . 0.0 110.745 179.773 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -58.4 -50.41 73.79 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.81 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 13.6 p -61.48 175.85 0.55 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.446 179.779 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -114.59 19.72 16.19 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.565 -0.826 . . . . 0.0 112.425 179.763 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -86.45 -175.66 5.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.816 0.341 . . . . 0.0 110.997 -179.765 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 17.8 p -119.18 101.74 8.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.751 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 3.9 mp -111.56 138.62 39.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.153 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.96 164.75 14.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.772 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 130' ' ' GLU . . . . . 0.632 ' HA ' HD12 ' A' ' 133' ' ' ILE . 0.3 OUTLIER -62.53 -45.62 92.13 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 -179.949 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.72 -30.27 66.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.919 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.41 -30.52 71.28 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.977 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.904 HD13 ' HG2' ' A' ' 118' ' ' LYS . 5.9 mt -73.79 -17.66 17.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.517 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.16 -36.03 69.21 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.797 0.332 . . . . 0.0 110.996 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -70.34 -22.44 62.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.117 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.785 HD13 ' HA ' ' A' ' 133' ' ' ILE . 2.4 mp -61.23 -53.13 60.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.856 0.36 . . . . 0.0 110.924 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 137' ' ' MET . . . . . 0.883 ' HG2' HD11 ' A' ' 117' ' ' LEU . 1.1 mmt -67.98 -26.06 65.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.11 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -51.64 -74.85 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.166 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 139' ' ' ASP . . . . . 0.406 ' OD1' ' N ' ' A' ' 140' ' ' GLY . 16.0 p-10 -58.89 -33.73 70.84 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.271 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 140' ' ' GLY . . . . . 0.406 ' N ' ' OD1' ' A' ' 139' ' ' ASP . . . -69.57 -18.31 73.64 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.59 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -98.39 118.47 35.12 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.872 0.367 . . . . 0.0 110.857 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 8.5 mmmt -98.95 -23.06 15.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.157 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 22.7 p-10 -110.34 0.63 18.06 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.394 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 2.1 m120 59.08 38.31 23.95 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.831 0.348 . . . . 0.0 110.942 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 51.3 p-10 -92.06 14.94 14.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.386 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 63.28 15.16 56.35 Favored Glycine 0 CA--C 1.518 0.272 0 C-N-CA 120.896 -0.669 . . . . 0.0 113.289 179.507 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.92 -179.62 8.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.97 0.414 . . . . 0.0 111.199 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 69.1 mt -142.91 151.28 17.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.056 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 149' ' ' ASP . . . . . 0.44 ' HB3' ' CD2' ' A' ' 111' ' ' TYR . 3.4 p30 -143.11 -177.68 5.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 150' ' ' TYR . . . . . 0.672 ' O ' HD23 ' A' ' 154' ' ' LEU . 64.0 t80 -61.56 -26.1 67.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.247 -179.853 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -77.86 -50.8 11.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.848 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -70.19 -27.24 64.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.933 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 153' ' ' PHE . . . . . 0.421 ' CZ ' ' HG3' ' A' ' 157' ' ' MET . 21.9 t80 -72.61 -34.31 67.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.872 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.672 HD23 ' O ' ' A' ' 150' ' ' TYR . 1.4 mm? -62.69 -32.3 73.36 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -87.01 -33.37 19.6 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.775 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 156' ' ' PHE . . . . . 0.728 ' O ' HG22 ' A' ' 160' ' ' VAL . 11.4 t80 -68.86 -25.8 64.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.673 179.788 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 157' ' ' MET . . . . . 0.421 ' HG3' ' CZ ' ' A' ' 153' ' ' PHE . 1.1 mmt -91.79 8.21 38.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.433 -0.348 . . . . 0.0 111.162 179.775 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 57.3 mttt -90.78 42.62 1.11 Allowed 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.811 0.338 . . . . 0.0 111.057 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 104.62 89.27 2.1 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.831 -0.7 . . . . 0.0 112.44 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 160' ' ' VAL . . . . . 0.728 HG22 ' O ' ' A' ' 156' ' ' PHE . 2.0 t . . . . . 0 C--N 1.328 -0.337 0 CA-C-O 120.801 0.334 . . . . 0.0 111.074 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.757 0.313 . . . . 0.0 111.162 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.74 -29.34 68.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.968 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.67 -25.34 49.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.086 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 69.7 mt -54.92 -23.67 20.0 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.213 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 76.1 p -70.04 -49.47 50.88 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.957 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -63.46 -42.46 98.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.935 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 5.0 mt -59.35 -28.87 67.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.922 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.428 ' CZ ' ' HA ' ' A' ' 149' ' ' ASP . 86.7 t80 -61.19 -43.21 99.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.137 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -57.68 -45.66 85.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.964 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 3.4 mmm -53.69 -43.87 69.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.907 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.782 ' HB3' HD13 ' A' ' 112' ' ' ILE . 8.6 m-85 -67.85 -28.05 67.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.934 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -84.29 90.32 7.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.841 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.408 ' HB2' ' CG ' ' A' ' 116' ' ' GLU . 0.0 OUTLIER -56.28 -50.43 71.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.943 -179.826 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 36.4 p-10 -78.92 -27.71 43.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.059 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 65.62 63.74 0.6 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.119 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 29.8 p-10 -111.5 -20.91 12.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.124 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 124.55 0.66 8.53 Favored Glycine 0 CA--C 1.519 0.334 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.825 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.428 ' CD2' ' HB3' ' A' ' 149' ' ' ASP . 95.5 m-85 -154.4 160.45 41.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.804 0.335 . . . . 0.0 110.709 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.782 HD13 ' HB3' ' A' ' 104' ' ' PHE . 11.5 mt -128.02 151.66 35.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.175 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -132.89 173.37 11.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.833 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 1.1 mt -56.84 -29.52 62.92 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.074 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.422 ' O ' ' CG ' ' A' ' 118' ' ' LYS . 1.5 tt0 -71.22 -44.36 65.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.94 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.522 ' HA ' HD12 ' A' ' 119' ' ' ILE . 5.3 tt0 -74.1 -59.21 2.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.239 -179.603 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 53.2 tp -48.91 -30.63 6.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.769 -179.178 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.469 ' HA ' HD13 ' A' ' 133' ' ' ILE . 0.0 OUTLIER -71.73 -24.18 61.74 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.598 -0.273 . . . . 0.0 111.191 -179.601 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.522 HD12 ' HA ' ' A' ' 116' ' ' GLU . 33.9 mt -74.6 -45.24 45.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.825 0.345 . . . . 0.0 111.175 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 2.9 ttp -58.52 -32.7 69.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.977 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.594 HD22 HG12 ' A' ' 133' ' ' ILE . 0.2 OUTLIER -70.06 -19.43 63.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.215 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -64.98 -25.17 67.75 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.743 0.306 . . . . 0.0 110.837 179.747 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -55.97 -46.68 78.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.939 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 68.2 p -56.49 175.33 0.11 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.672 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -114.07 22.12 14.59 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.598 -0.811 . . . . 0.0 112.542 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -107.58 127.18 53.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.639 0.257 . . . . 0.0 110.845 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 46.0 p -65.19 99.87 0.41 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.069 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.519 HG22 ' N ' ' A' ' 129' ' ' THR . 35.5 mm -101.41 160.06 3.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.804 179.649 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 129' ' ' THR . . . . . 0.519 ' N ' HG22 ' A' ' 128' ' ' ILE . 1.8 m -107.54 160.52 15.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.721 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.92 -29.53 68.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.004 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -77.76 -29.33 50.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.028 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -69.6 -38.94 77.51 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.98 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.594 HG12 HD22 ' A' ' 121' ' ' LEU . 39.3 mt -73.33 -8.62 11.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.655 -179.857 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -74.13 -29.66 61.92 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.713 0.292 . . . . 0.0 111.081 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -63.27 -37.64 88.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.971 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.54 -45.72 92.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.892 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 137' ' ' MET . . . . . 0.582 ' HE3' HD12 ' A' ' 148' ' ' ILE . 0.0 OUTLIER -70.34 -31.3 68.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.92 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 2.8 mmmt -58.99 -75.76 0.05 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.119 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 28.9 p-10 -60.16 -20.09 56.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.511 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -79.25 -44.63 9.49 Favored Glycine 0 N--CA 1.453 -0.19 0 C-N-CA 120.564 -0.827 . . . . 0.0 112.403 179.791 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 36.5 t0 -65.54 104.89 1.08 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.762 0.315 . . . . 0.0 111.001 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 10.6 mmtp -98.49 -23.01 15.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.045 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 30.0 m120 -86.03 -13.42 47.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.117 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 68.07 37.78 2.88 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.861 0.363 . . . . 0.0 110.867 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 17.6 p-10 -112.74 15.54 19.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.195 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 61.29 30.72 74.8 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.57 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 83.7 mtt180 -157.14 178.2 10.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.873 0.368 . . . . 0.0 110.915 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 148' ' ' ILE . . . . . 0.582 HD12 ' HE3' ' A' ' 137' ' ' MET . 46.1 mt -131.83 158.33 43.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.95 179.804 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 149' ' ' ASP . . . . . 0.493 ' N ' HG22 ' A' ' 148' ' ' ILE . 2.3 p30 -154.86 167.34 30.59 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.995 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 150' ' ' TYR . . . . . 0.414 ' O ' HD23 ' A' ' 154' ' ' LEU . 78.4 t80 -56.36 -27.74 56.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.255 -179.785 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.94 -57.07 5.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.064 -179.829 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -80.09 -9.06 59.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.574 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -77.4 -37.71 51.36 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.777 0.322 . . . . 0.0 110.713 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.414 HD23 ' O ' ' A' ' 150' ' ' TYR . 3.5 mm? -67.7 -25.57 65.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.022 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -83.05 -33.28 26.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.864 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 156' ' ' PHE . . . . . 0.666 ' O ' HG22 ' A' ' 160' ' ' VAL . 26.6 t80 -76.36 -28.26 56.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.857 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.8 -2.63 58.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.387 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 2.4 tptm -90.57 49.77 1.72 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.844 0.354 . . . . 0.0 110.866 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 103.57 69.63 0.8 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.355 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 160' ' ' VAL . . . . . 0.666 HG22 ' O ' ' A' ' 156' ' ' PHE . 6.4 t . . . . . 0 C--N 1.328 -0.349 0 CA-C-O 120.854 0.359 . . . . 0.0 111.03 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 7.9 mtt . . . . . 0 N--CA 1.487 1.396 0 CA-C-O 120.872 0.368 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 21.3 t 57.78 79.81 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.195 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 13.7 ptt180 -112.15 -45.16 3.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 1.1 t -100.86 -36.77 8.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.907 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 24.0 ptm 46.2 -169.45 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.277 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.0 mtpm? -65.24 157.38 29.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.931 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -104.52 168.34 9.15 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.862 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -77.54 166.29 23.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.932 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 89.7 p -62.91 111.19 2.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.913 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.55 -169.95 1.79 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -65.81 103.62 0.87 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.521 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.429 ' CB ' ' HB3' ' A' ' 96' ' ' GLU . 7.3 mmtt -104.82 136.57 44.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.814 0.34 . . . . 0.0 110.963 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -101.55 -78.76 0.52 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.003 -179.697 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -75.98 -44.08 41.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.599 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.7 -19.8 62.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.858 179.665 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.429 ' HB3' ' CB ' ' A' ' 92' ' ' LYS . 0.0 OUTLIER -79.95 -3.08 46.68 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.419 -179.858 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.536 HD22 ' CE2' ' A' ' 153' ' ' PHE . 54.0 mt -59.51 -19.35 47.47 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.536 -179.72 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 43.4 t -69.36 -33.19 72.71 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.791 0.329 . . . . 0.0 111.085 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -81.04 -32.1 34.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.084 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 15.1 mt -68.38 -28.83 67.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.999 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.446 ' CE1' ' HA ' ' A' ' 149' ' ' ASP . 70.6 t80 -61.62 -53.17 59.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.149 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 36.0 mtm180 -56.24 -31.56 63.66 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.005 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 26.3 mtt -64.28 -20.79 66.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.141 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -95.57 -20.48 18.95 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.212 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -82.31 143.65 31.14 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.821 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 4.6 mmpt? -97.01 -33.93 11.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.998 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 34.9 p30 -116.35 -9.34 11.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.309 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 63.69 63.76 0.83 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.868 0.366 . . . . 0.0 111.033 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -104.86 -5.92 20.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.393 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 104.54 -14.03 50.56 Favored Glycine 0 C--N 1.332 0.319 0 C-N-CA 120.608 -0.806 . . . . 0.0 112.722 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -145.09 152.2 39.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.734 0.302 . . . . 0.0 110.736 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 2.8 mt -127.67 153.2 36.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.965 0.412 . . . . 0.0 111.218 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -135.92 175.02 9.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.752 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 4.0 tp -54.37 -40.64 68.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.227 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.453 ' O ' HD12 ' A' ' 119' ' ' ILE . 4.6 pt-20 -58.14 -47.92 81.84 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.898 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -71.23 -53.09 15.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.749 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.488 ' O ' HD12 ' A' ' 121' ' ' LEU . 14.8 tp -51.63 -29.02 16.19 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.173 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.544 ' HG3' HD13 ' A' ' 133' ' ' ILE . 42.1 tttt -59.97 -41.67 92.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.836 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.453 HD12 ' O ' ' A' ' 115' ' ' GLU . 2.9 mp -72.51 -26.7 24.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.136 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 4.6 ttp -69.75 -38.66 76.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.855 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.748 HD13 HG12 ' A' ' 133' ' ' ILE . 0.6 OUTLIER -67.05 -27.28 67.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.985 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 -57.24 -23.59 49.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.851 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -55.78 -45.7 78.1 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.069 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 70.5 p -65.44 170.98 4.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.563 179.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -113.84 26.46 9.99 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.556 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -101.72 -167.01 1.36 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.749 0.309 . . . . 0.0 110.849 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 5.0 p -119.19 111.04 17.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.762 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 28.7 mm -112.65 141.8 27.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.13 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 2.4 p -103.36 166.48 10.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.801 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -59.3 -30.2 68.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.919 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -76.37 -30.79 57.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.909 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -69.45 -43.55 73.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.959 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.748 HG12 HD13 ' A' ' 121' ' ' LEU . 22.0 mt -63.73 -22.32 30.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.251 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -73.23 -35.29 66.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.973 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -57.27 -32.69 66.86 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.14 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.42 HD13 HD21 ' A' ' 117' ' ' LEU . 1.7 mt -70.59 -44.98 66.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.99 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.94 -35.98 64.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.99 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 2.8 tttt -59.24 -71.2 0.13 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.99 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 28.2 p-10 -58.99 -19.73 46.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.621 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -88.59 -27.04 25.78 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.471 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 56.7 t0 -68.13 110.93 4.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.831 0.348 . . . . 0.0 110.929 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 14.0 mmmt -109.19 -30.18 8.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.994 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -87.83 -4.42 58.87 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.209 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 63.27 26.37 15.09 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.797 0.332 . . . . 0.0 111.213 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 35.8 p-10 -98.01 -22.65 16.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.714 179.581 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 101.4 7.69 48.39 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.812 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -128.13 -172.12 2.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.873 0.368 . . . . 0.0 110.951 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 47.4 mt -146.23 134.4 15.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.979 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 149' ' ' ASP . . . . . 0.446 ' HA ' ' CE1' ' A' ' 101' ' ' PHE . 5.8 p-10 -134.14 -173.4 3.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.752 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 150' ' ' TYR . . . . . 0.736 ' O ' HD23 ' A' ' 154' ' ' LEU . 8.8 t80 -58.96 -27.58 65.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.141 -179.786 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -77.09 -52.89 8.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.722 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -67.35 -25.31 65.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.027 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 153' ' ' PHE . . . . . 0.536 ' CE2' HD22 ' A' ' 97' ' ' LEU . 15.5 t80 -72.64 -41.42 65.5 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.825 0.345 . . . . 0.0 110.876 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.736 HD23 ' O ' ' A' ' 150' ' ' TYR . 3.6 mm? -63.87 -31.76 73.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.917 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -83.65 -41.57 17.63 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 156' ' ' PHE . . . . . 0.478 ' CD1' HG11 ' A' ' 160' ' ' VAL . 20.7 t80 -64.21 -22.48 66.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.098 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 21.3 mmt -101.0 13.27 35.76 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.429 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -91.41 35.19 0.94 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.688 0.28 . . . . 0.0 111.356 -179.712 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 104.39 81.68 1.52 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.622 -0.799 . . . . 0.0 112.674 179.621 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 160' ' ' VAL . . . . . 0.478 HG11 ' CD1' ' A' ' 156' ' ' PHE . 1.1 m -114.52 -42.39 3.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.839 0.352 . . . . 0.0 111.2 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.852 -179.965 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 162' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 163' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.861 0.362 . . . . 0.0 111.13 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 10.8 p -99.23 -32.46 3.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.049 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 16.2 ttt-85 -88.83 149.36 23.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.889 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 1.7 m 60.1 31.26 20.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.01 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 3.6 tmm? -69.26 -67.96 0.44 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -84.5 154.27 22.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.956 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 8.6 p30 -110.42 169.55 8.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.983 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -63.53 -22.35 66.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.188 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.5 t -68.25 179.73 1.51 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.961 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 11.5 mttp -74.5 154.8 38.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -67.47 -65.67 2.65 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.572 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.437 ' CB ' ' HB3' ' A' ' 96' ' ' GLU . 80.0 mttt -112.4 145.19 40.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.944 0.402 . . . . 0.0 110.993 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.7 p -100.72 -80.1 0.49 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.819 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -77.77 -46.1 22.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.972 0.415 . . . . 0.0 110.246 179.564 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -56.31 -23.36 36.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.774 179.545 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.545 ' OE2' HD11 ' A' ' 100' ' ' LEU . 0.1 OUTLIER -76.71 -5.82 49.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.258 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.409 HD22 ' CE2' ' A' ' 153' ' ' PHE . 19.9 mt -51.26 -25.79 6.23 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.704 0.287 . . . . 0.0 111.41 -179.736 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 19.9 p -60.78 -31.12 70.49 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.879 0.371 . . . . 0.0 110.99 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.98 -39.7 65.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.916 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.545 HD11 ' OE2' ' A' ' 96' ' ' GLU . 4.3 mp -70.5 -24.76 62.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.094 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.439 ' CZ ' ' HA ' ' A' ' 149' ' ' ASP . 76.0 t80 -58.36 -46.58 86.0 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.018 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 15.1 mtm180 -56.78 -36.28 69.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.97 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 20.0 mmm -59.75 -21.04 60.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.106 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.464 ' HB3' HD13 ' A' ' 112' ' ' ILE . 12.7 m-85 -98.73 -20.17 17.08 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.208 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.14 151.42 22.21 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.899 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.63 -31.03 11.79 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.004 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 15.8 p30 -114.27 -14.11 12.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.302 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 64.62 62.57 0.78 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.946 0.403 . . . . 0.0 111.064 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -106.1 -25.37 12.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.999 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 125.14 -11.16 7.73 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.791 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.443 ' CD2' ' HB3' ' A' ' 149' ' ' ASP . 3.5 m-85 -143.13 146.41 33.72 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.738 0.304 . . . . 0.0 110.865 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.464 HD13 ' HB3' ' A' ' 104' ' ' PHE . 5.6 mt -128.05 154.46 38.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.035 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ASP . . . . . 0.417 ' N ' HG22 ' A' ' 112' ' ' ILE . 1.6 p30 -138.59 -177.77 5.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.954 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.816 HD21 ' HG2' ' A' ' 134' ' ' GLU . 0.6 OUTLIER -58.24 -30.34 66.45 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.9 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.91 -57.35 10.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.773 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -72.02 -49.36 37.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.951 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.408 HD23 ' CG2' ' A' ' 133' ' ' ILE . 2.6 tp -52.86 -27.15 17.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.319 -179.774 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -74.96 -29.14 60.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.018 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 26.4 mt -71.79 -49.41 45.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.179 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 1.2 ptm -58.68 -30.22 67.21 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.823 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.911 HD21 ' HB ' ' A' ' 128' ' ' ILE . 2.2 tp -63.86 -31.44 72.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.741 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 69.5 mm-40 -62.61 -26.04 68.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.688 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -56.79 -46.82 81.32 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.06 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 20.2 p -60.39 170.19 1.44 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.567 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -113.94 23.5 12.92 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.518 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -98.7 -170.2 1.9 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.838 0.352 . . . . 0.0 110.837 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 24.7 p -120.07 100.38 7.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.774 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.911 ' HB ' HD21 ' A' ' 121' ' ' LEU . 3.9 mp -113.2 141.62 28.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.974 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 77.2 p -94.27 167.29 11.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.853 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.505 ' HA ' HD12 ' A' ' 133' ' ' ILE . 0.5 OUTLIER -70.86 -30.89 67.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.796 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -75.74 -27.82 58.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.973 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -70.75 -40.5 72.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.956 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.537 HD11 HD22 ' A' ' 121' ' ' LEU . 8.1 mt -65.5 -17.54 22.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.437 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.816 ' HG2' HD21 ' A' ' 114' ' ' LEU . 6.0 mt-10 -70.34 -53.24 17.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.89 0.376 . . . . 0.0 110.942 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -62.17 -20.75 64.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.224 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.27 -41.38 85.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.853 0.359 . . . . 0.0 110.966 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 137' ' ' MET . . . . . 0.457 ' SD ' HD12 ' A' ' 114' ' ' LEU . 26.2 mtp -75.9 -20.56 57.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.319 -179.788 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 18.2 mmtt -56.92 -70.87 0.11 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.746 0.308 . . . . 0.0 111.201 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 22.7 p-10 -54.45 -24.42 20.07 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.567 -179.576 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -87.39 -23.64 39.45 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.509 -0.853 . . . . 0.0 112.567 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -81.08 97.0 7.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.814 0.34 . . . . 0.0 111.072 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 4.8 mmmt -98.06 -25.47 14.93 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.919 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -83.76 -12.31 55.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.074 179.711 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 62.25 29.38 17.38 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.168 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 34.8 p-10 -100.62 13.65 34.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.258 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 67.7 25.79 73.94 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.72 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 11.4 mtt180 -156.99 -172.82 4.18 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.725 0.297 . . . . 0.0 110.958 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 47.9 mt -142.32 134.95 27.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.091 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 149' ' ' ASP . . . . . 0.443 ' HB3' ' CD2' ' A' ' 111' ' ' TYR . 6.9 p30 -134.45 172.17 13.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.728 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 36.9 t80 -59.79 -24.02 63.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.407 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -70.13 -62.61 1.32 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.817 0.342 . . . . 0.0 111.075 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -72.84 -23.58 60.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.237 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 153' ' ' PHE . . . . . 0.409 ' CE2' HD22 ' A' ' 97' ' ' LEU . 17.4 t80 -62.16 -31.44 71.94 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.887 0.375 . . . . 0.0 110.697 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.84 -25.68 68.01 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.061 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -84.17 -34.23 24.04 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -62.86 -30.98 71.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.951 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -101.69 12.4 37.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.309 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.65 33.88 1.0 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.356 -179.736 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 103.51 73.26 0.94 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.565 -0.826 . . . . 0.0 112.598 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 1.6 m -111.38 30.37 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.81 0.338 . . . . 0.0 111.092 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.868 -179.961 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 162' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 163' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 1.5 mtm . . . . . 0 N--CA 1.486 1.326 0 CA-C-O 120.848 0.356 . . . . 0.0 111.22 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 15.3 m -101.08 30.79 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.164 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -128.29 34.28 4.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.965 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 91.0 m -89.07 -49.67 6.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 2.0 ttt -94.29 -67.83 0.83 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 61.5 tttt -129.4 150.94 50.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.909 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -107.15 -49.34 3.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.898 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -96.76 130.07 44.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.879 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 7.6 t -52.23 -178.59 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.251 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 15.4 ptpt -79.14 158.17 27.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.021 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -104.26 121.63 7.07 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.401 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.2 mtpp -75.15 61.17 1.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.887 0.375 . . . . 0.0 111.182 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.43 HG23 ' H ' ' A' ' 94' ' ' GLU . 0.0 OUTLIER -100.9 -94.87 0.27 Allowed 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.797 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.43 ' H ' HG23 ' A' ' 93' ' ' THR . 21.2 mt-10 -83.18 -36.36 24.76 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-O 120.881 0.372 . . . . 0.0 110.667 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -59.88 -29.58 68.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.829 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.01 -19.88 61.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.135 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 89.3 mt -50.08 -26.25 4.25 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.504 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 21.3 t -67.34 -49.58 63.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.826 0.346 . . . . 0.0 110.933 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -64.92 -42.24 94.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.984 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -55.43 -27.44 47.95 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.2 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.406 ' CZ ' ' HA ' ' A' ' 149' ' ' ASP . 65.9 t80 -62.48 -51.17 68.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.779 0.323 . . . . 0.0 110.967 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -56.02 -30.53 62.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.945 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 1.1 mmt -62.71 -21.98 66.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.075 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.769 ' HB3' HD13 ' A' ' 112' ' ' ILE . 3.6 m-85 -94.16 -20.11 20.17 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.111 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -92.39 147.62 22.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.799 0.333 . . . . 0.0 110.862 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.02 -29.78 11.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.921 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 22.6 p-10 -113.42 -14.34 12.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.229 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 66.03 72.25 0.4 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.857 0.361 . . . . 0.0 111.066 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -110.61 -27.35 8.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.103 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 125.13 -8.32 8.01 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.886 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.435 ' CD2' ' HB3' ' A' ' 149' ' ' ASP . 1.9 m-85 -147.85 151.91 36.74 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.821 0.343 . . . . 0.0 110.675 179.776 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.769 HD13 ' HB3' ' A' ' 104' ' ' PHE . 3.3 mt -128.09 153.69 37.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.007 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -135.63 -170.62 2.65 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.939 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 3.4 tt -66.67 -35.77 80.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.131 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -60.51 -51.07 70.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.04 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.414 ' HB3' HG23 ' A' ' 112' ' ' ILE . 0.6 OUTLIER -72.12 -53.86 11.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.962 -179.867 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.693 HD21 HD22 ' A' ' 136' ' ' LEU . 11.6 tp -51.1 -27.72 9.0 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.264 -179.857 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 4.9 ttmm -70.36 -28.25 64.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.023 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 30.4 mt -70.94 -48.54 55.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.13 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 6.0 ptm -61.27 -31.33 71.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.952 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.695 HD23 HG13 ' A' ' 128' ' ' ILE . 0.5 OUTLIER -70.2 -31.44 68.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.846 179.906 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -65.98 -25.89 67.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.638 179.68 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -57.93 -44.72 87.09 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.992 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 62.8 p -59.83 176.32 0.3 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.619 179.738 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -114.21 23.98 12.04 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.431 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' GLU . . . . . 0.736 ' OE1' HD11 ' A' ' 128' ' ' ILE . 15.9 pt-20 -100.38 -172.75 2.26 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.731 0.301 . . . . 0.0 110.869 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -120.02 104.7 10.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.845 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.736 HD11 ' OE1' ' A' ' 126' ' ' GLU . 24.0 mm -112.32 149.48 14.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.134 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 10.2 p -108.95 166.22 10.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.787 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.581 ' HA ' HD12 ' A' ' 133' ' ' ILE . 20.7 mt-10 -64.73 -30.75 71.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -69.74 -31.54 69.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.945 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.93 -40.21 75.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.947 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.581 HD12 ' HA ' ' A' ' 130' ' ' GLU . 10.2 mt -66.91 -25.25 33.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.245 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -69.39 -39.84 77.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.88 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -70.22 -30.97 68.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.985 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.693 HD22 HD21 ' A' ' 117' ' ' LEU . 0.1 OUTLIER -59.53 -47.99 83.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.969 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 137' ' ' MET . . . . . 0.522 ' SD ' HD22 ' A' ' 117' ' ' LEU . 15.8 mmm -75.19 -24.45 57.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.126 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 10.5 tptt -56.72 -68.33 0.23 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.105 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 29.8 p-10 -60.43 -19.06 54.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.534 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 140' ' ' GLY . . . . . 0.439 ' HA2' ' CD1' ' A' ' 156' ' ' PHE . . . -86.54 -32.43 15.93 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.59 -0.814 . . . . 0.0 112.348 179.749 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -69.2 123.06 20.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.916 0.388 . . . . 0.0 111.05 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 4.6 mmtm -108.99 -25.45 10.71 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.98 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 19.0 p-10 -104.67 -2.94 24.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.266 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 66.36 28.44 9.75 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.667 0.27 . . . . 0.0 111.115 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 42.3 p-10 -87.82 5.03 42.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.377 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 67.03 28.99 73.99 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.851 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 147' ' ' ARG . . . . . 0.569 ' O ' HD13 ' A' ' 148' ' ' ILE . 42.9 mtt180 -156.86 -177.23 6.46 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.813 0.34 . . . . 0.0 111.057 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 148' ' ' ILE . . . . . 0.569 HD13 ' O ' ' A' ' 147' ' ' ARG . 32.2 mm -141.56 141.42 30.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.083 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 149' ' ' ASP . . . . . 0.435 ' HB3' ' CD2' ' A' ' 111' ' ' TYR . 4.3 p30 -137.5 -176.17 4.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 150' ' ' TYR . . . . . 0.597 ' O ' HD13 ' A' ' 154' ' ' LEU . 38.3 t80 -59.94 -27.26 66.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.131 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.39 -50.05 12.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.822 0.344 . . . . 0.0 110.716 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -68.45 -26.55 65.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.092 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -73.18 -46.33 51.32 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.951 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.597 HD13 ' O ' ' A' ' 150' ' ' TYR . 5.3 mp -56.28 -32.1 64.26 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.941 -179.832 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -85.35 -37.21 20.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.778 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 156' ' ' PHE . . . . . 0.505 ' CD1' HG11 ' A' ' 160' ' ' VAL . 26.4 t80 -66.29 -26.72 67.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.066 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 1.2 mmt -96.58 11.56 34.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.363 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 8.0 mttt -91.2 37.21 0.93 Allowed 'General case' 0 C--O 1.232 0.153 0 CA-C-O 120.754 0.311 . . . . 0.0 111.476 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 100.06 82.35 1.66 Allowed Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.755 179.503 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 160' ' ' VAL . . . . . 0.505 HG11 ' CD1' ' A' ' 156' ' ' PHE . 0.5 OUTLIER -114.66 -39.43 2.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.835 0.35 . . . . 0.0 111.16 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 -179.973 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 162' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 163' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.879 0.371 . . . . 0.0 111.116 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.562 HG12 ' H ' ' A' ' 84' ' ' CYS . 21.3 t 63.77 143.1 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.057 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.51 -35.03 75.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.024 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.562 ' H ' HG12 ' A' ' 82' ' ' VAL . 5.9 t 58.83 91.03 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 1.1 mtp -81.65 163.87 22.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.928 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 14.7 mtpt -85.9 151.67 23.59 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.972 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -105.46 36.82 2.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.997 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -112.15 21.07 16.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.152 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -106.81 -51.72 2.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.874 0.368 . . . . 0.0 111.04 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.36 -176.8 0.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.058 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -53.2 120.45 13.02 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.97 -0.633 . . . . 0.0 112.776 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.461 ' HB2' ' HB3' ' A' ' 96' ' ' GLU . 6.6 mtmt -112.51 152.63 28.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.739 0.304 . . . . 0.0 110.785 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -101.82 -86.26 0.42 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.552 -179.248 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -75.99 -28.44 57.82 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.829 0.347 . . . . 0.0 111.016 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.441 ' CB ' ' HD2' ' A' ' 92' ' ' LYS . 3.7 mt-10 -79.93 -10.52 59.78 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.143 179.793 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.722 ' OE2' HD13 ' A' ' 100' ' ' LEU . 0.1 OUTLIER -84.09 -25.34 29.84 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.86 0.362 . . . . 0.0 111.109 179.881 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.776 HD21 ' HG2' ' A' ' 157' ' ' MET . 38.2 mt -57.9 -20.05 34.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.628 -179.674 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.8 t -71.18 -47.56 56.85 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.73 0.3 . . . . 0.0 110.995 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -67.55 -39.34 84.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.071 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.722 HD13 ' OE2' ' A' ' 96' ' ' GLU . 0.7 OUTLIER -70.89 -28.43 64.54 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.05 -179.872 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.437 ' CZ ' ' HA ' ' A' ' 149' ' ' ASP . 31.7 t80 -55.49 -30.35 60.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.927 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.1 -32.1 73.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.791 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 5.3 mmm -60.06 -52.55 64.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.828 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.503 ' HB3' HD13 ' A' ' 112' ' ' ILE . 1.0 OUTLIER -67.29 -26.13 66.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.997 179.913 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -82.71 151.25 26.3 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.865 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.11 -47.43 3.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.82 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -79.24 -23.17 43.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.963 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 65.21 41.06 4.63 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.845 0.355 . . . . 0.0 111.042 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 22.4 p-10 -97.96 -23.77 15.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.114 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 125.07 -1.24 8.37 Favored Glycine 0 CA--C 1.52 0.373 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.839 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.437 ' CD2' ' HB3' ' A' ' 149' ' ' ASP . 15.5 m-85 -145.43 150.81 37.19 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.819 0.342 . . . . 0.0 110.807 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.503 HD13 ' HB3' ' A' ' 104' ' ' PHE . 17.0 mt -127.95 154.34 38.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.012 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -132.94 -175.9 3.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.998 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.974 HD13 HD12 ' A' ' 117' ' ' LEU . 4.3 mm? -62.74 -33.3 74.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.24 -179.708 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -58.36 -44.82 88.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.137 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.747 ' HA ' HD12 ' A' ' 119' ' ' ILE . 9.0 mt-10 -71.82 -33.74 68.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.13 -179.728 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.974 HD12 HD13 ' A' ' 114' ' ' LEU . 86.9 mt -55.43 -48.14 74.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.764 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.678 ' HG3' HD13 ' A' ' 133' ' ' ILE . 22.1 mttt -59.54 -27.49 66.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.636 179.739 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.747 HD12 ' HA ' ' A' ' 116' ' ' GLU . 42.8 mt -75.97 -58.83 3.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.178 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 1.9 ptm -59.52 -31.12 69.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.011 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.777 HD13 HG12 ' A' ' 133' ' ' ILE . 0.8 OUTLIER -70.05 -30.83 68.19 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.893 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 7.4 mm-40 -62.92 -25.0 68.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.591 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -56.56 -46.38 80.74 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.976 179.785 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 11.5 p -62.57 174.86 0.89 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.496 179.688 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -114.07 19.43 17.87 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.624 -0.798 . . . . 0.0 112.588 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' GLU . . . . . 0.461 ' OE2' HD11 ' A' ' 128' ' ' ILE . 4.7 pt-20 -107.41 124.48 49.91 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.914 0.387 . . . . 0.0 110.738 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 46.7 p -59.99 104.57 0.31 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.063 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.461 HD11 ' OE2' ' A' ' 126' ' ' GLU . 29.5 mm -97.3 155.51 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.973 179.829 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 129' ' ' THR . . . . . 0.444 ' N ' HG22 ' A' ' 128' ' ' ILE . 15.1 t -111.44 160.06 17.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.796 179.81 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.582 ' HA ' HD12 ' A' ' 133' ' ' ILE . 56.5 mt-10 -59.34 -35.05 73.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.932 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.72 -30.81 71.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.975 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.99 -37.04 58.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.898 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.777 HG12 HD13 ' A' ' 121' ' ' LEU . 16.8 mt -69.56 -31.85 50.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.127 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -65.6 -57.38 8.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.977 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.09 -21.59 46.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.23 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.25 -50.22 74.35 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.843 0.354 . . . . 0.0 110.874 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 137' ' ' MET . . . . . 0.619 ' HG2' HD11 ' A' ' 117' ' ' LEU . 0.0 OUTLIER -72.03 -22.24 61.42 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.195 -179.936 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 10.6 tttt -49.84 -72.49 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.809 0.338 . . . . 0.0 111.348 -179.69 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 139' ' ' ASP . . . . . 0.423 ' OD2' ' CZ ' ' A' ' 156' ' ' PHE . 19.2 p-10 -63.61 -31.52 72.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.358 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 140' ' ' GLY . . . . . 0.417 ' N ' ' OD1' ' A' ' 139' ' ' ASP . . . -69.65 -26.08 74.83 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.491 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -88.91 117.98 28.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.787 0.327 . . . . 0.0 110.854 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.75 -24.81 16.33 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.096 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 31.1 p30 -116.35 18.04 15.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.108 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 144' ' ' ASN . . . . . 0.451 ' O ' ' ND2' ' A' ' 144' ' ' ASN . 1.2 p-10 43.2 42.98 3.75 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.643 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 35.9 p-10 -93.06 14.36 18.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.278 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 62.86 15.87 55.88 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.944 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 49.3 mtt180 -149.1 -177.88 6.07 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.788 0.327 . . . . 0.0 110.934 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 36.1 mt -148.4 137.69 15.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.26 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 149' ' ' ASP . . . . . 0.437 ' HA ' ' CZ ' ' A' ' 101' ' ' PHE . 4.1 p30 -134.16 177.86 7.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.591 179.631 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 150' ' ' TYR . . . . . 0.773 ' CZ ' HD21 ' A' ' 154' ' ' LEU . 19.8 t80 -56.71 -38.28 72.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.83 0.348 . . . . 0.0 110.95 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.48 -55.41 31.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.697 179.802 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -71.07 -27.77 63.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.057 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 153' ' ' PHE . . . . . 0.603 ' CE2' HD22 ' A' ' 97' ' ' LEU . 10.7 t80 -72.33 -42.74 65.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.886 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.773 HD21 ' CZ ' ' A' ' 150' ' ' TYR . 11.9 mt -56.11 -31.74 63.56 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.838 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -82.64 -34.6 27.45 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.742 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 156' ' ' PHE . . . . . 0.579 ' O ' HG22 ' A' ' 160' ' ' VAL . 16.3 t80 -68.42 -34.08 75.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.671 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 157' ' ' MET . . . . . 0.776 ' HG2' HD21 ' A' ' 97' ' ' LEU . 0.2 OUTLIER -90.06 2.55 55.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.157 179.886 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.04 45.66 1.26 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.857 0.36 . . . . 0.0 110.972 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 104.26 76.03 1.07 Allowed Glycine 0 N--CA 1.453 -0.204 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.4 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 160' ' ' VAL . . . . . 0.579 HG22 ' O ' ' A' ' 156' ' ' PHE . 2.8 t -71.05 -35.76 60.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.821 0.343 . . . . 0.0 111.107 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.87 -179.992 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 162' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 163' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 1.5 ttp . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.707 0.289 . . . . 0.0 111.211 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 6.5 m -140.24 130.76 29.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.052 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 40.4 ttt180 -117.31 104.93 11.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.986 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 59.9 m -130.06 117.93 20.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.796 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 3.2 tpp -170.82 -42.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.931 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.59 30.39 15.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.873 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -78.54 104.38 9.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.876 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -102.48 167.06 10.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.958 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 27.4 t -106.49 84.68 2.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 63.3 mttt -87.79 104.13 16.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.964 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.452 ' O ' ' N ' ' A' ' 93' ' ' THR . . . -79.65 165.06 49.38 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.365 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.43 ' HA ' ' HG3' ' A' ' 96' ' ' GLU . 8.7 mttt -63.29 68.6 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.818 0.342 . . . . 0.0 111.388 -179.541 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.452 ' N ' ' O ' ' A' ' 91' ' ' GLY . 15.2 p -101.25 -165.87 1.25 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.749 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -59.37 -29.66 67.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.802 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.65 -24.31 21.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.027 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.43 ' HG3' ' HA ' ' A' ' 92' ' ' LYS . 15.2 mm-40 -90.54 12.51 18.52 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.361 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 31.5 mt -65.19 -29.07 69.85 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.758 0.313 . . . . 0.0 110.891 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.401 ' CA ' ' CE1' ' A' ' 150' ' ' TYR . 1.0 OUTLIER -69.31 -48.3 61.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.725 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.57 -42.32 96.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.857 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.35 -30.11 70.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.917 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.432 ' CZ ' ' HA ' ' A' ' 149' ' ' ASP . 65.8 t80 -59.9 -40.63 89.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.935 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 11.9 ttm180 -58.59 -40.58 83.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.868 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 3.1 mtt -56.63 -49.12 75.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.796 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -61.72 -27.81 68.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.902 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.29 154.78 30.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.909 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.89 -46.94 3.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.946 0.403 . . . . 0.0 110.923 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 25.6 p30 -91.83 -19.55 22.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.077 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 67.11 62.61 0.47 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.906 0.384 . . . . 0.0 111.078 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -110.49 -26.34 9.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.105 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 125.05 0.87 8.14 Favored Glycine 0 CA--C 1.519 0.318 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.783 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.446 ' CD2' ' HB3' ' A' ' 149' ' ' ASP . 6.0 m-85 -150.29 154.02 37.15 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.711 0.291 . . . . 0.0 110.746 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.434 HG22 ' N ' ' A' ' 113' ' ' ASP . 6.0 mt -128.35 155.4 40.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.955 0.407 . . . . 0.0 111.11 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ASP . . . . . 0.434 ' N ' HG22 ' A' ' 112' ' ' ILE . 6.1 t0 -134.64 179.07 6.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.853 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.68 -28.45 67.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.98 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -68.17 -60.98 2.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.838 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.65 ' HA ' HD12 ' A' ' 119' ' ' ILE . 9.0 mt-10 -61.26 -53.21 59.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.71 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.616 HD23 HG23 ' A' ' 133' ' ' ILE . 11.7 tp -49.21 -28.62 4.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.207 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 44.7 tttt -76.18 -29.64 57.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.9 179.789 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.65 HD12 ' HA ' ' A' ' 116' ' ' GLU . 22.4 mt -73.35 -51.14 26.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.203 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -56.71 -30.26 63.29 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.058 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 14.7 mt -67.37 -22.25 65.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.066 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 10.3 mm100 -61.32 -24.54 66.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.504 -0.317 . . . . 0.0 110.855 179.747 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -56.09 -47.44 78.03 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.961 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 16.6 p -62.55 174.88 0.88 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.59 179.744 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -114.03 21.48 15.63 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.594 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -107.76 124.77 50.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.876 0.369 . . . . 0.0 110.865 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 1.2 p -63.17 103.09 0.44 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.933 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.473 HG22 ' N ' ' A' ' 129' ' ' THR . 22.1 mm -95.05 159.03 2.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.142 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 129' ' ' THR . . . . . 0.594 HG23 ' H ' ' A' ' 132' ' ' ASP . 9.0 t -117.75 165.95 13.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.447 ' HA ' HD12 ' A' ' 133' ' ' ILE . 45.9 mt-10 -64.83 -30.66 71.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.905 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -70.97 -31.25 67.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.816 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' ASP . . . . . 0.594 ' H ' HG23 ' A' ' 129' ' ' THR . 2.5 m-20 -68.64 -40.49 80.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.905 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.616 HG23 HD23 ' A' ' 117' ' ' LEU . 4.1 mt -73.77 -28.77 24.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.112 -179.827 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.78 -41.58 86.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.853 0.359 . . . . 0.0 111.107 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.64 -28.62 64.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.079 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.408 HD22 HD21 ' A' ' 117' ' ' LEU . 0.2 OUTLIER -61.93 -52.32 64.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.838 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 1.9 ttm -71.89 -25.8 62.08 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.046 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 7.6 tttt -53.11 -69.47 0.11 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.224 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 23.9 p-10 -68.66 -24.96 64.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.326 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -76.98 -5.07 84.36 Favored Glycine 0 CA--C 1.52 0.383 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.662 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 63.1 t0 -92.83 130.23 38.5 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.798 0.333 . . . . 0.0 110.849 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 13.6 mmmt -122.53 -31.74 3.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.293 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 30.4 m120 -97.1 20.32 11.51 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.115 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 7.4 p-10 42.7 32.02 0.35 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.72 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 19.9 p-10 -95.66 -26.52 15.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.602 179.691 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 98.44 19.26 23.56 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.882 -0.675 . . . . 0.0 112.633 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 11.4 mtt180 -139.93 -178.59 5.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.824 0.345 . . . . 0.0 110.733 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 25.4 mt -136.24 139.21 45.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.337 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 149' ' ' ASP . . . . . 0.446 ' HB3' ' CD2' ' A' ' 111' ' ' TYR . 3.0 p30 -137.13 167.33 21.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.777 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 150' ' ' TYR . . . . . 0.401 ' CE1' ' CA ' ' A' ' 98' ' ' SER . 20.2 t80 -57.33 -27.92 62.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.373 -179.623 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.86 -60.28 2.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.806 0.336 . . . . 0.0 111.073 -179.774 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -77.12 -12.93 60.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.456 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 153' ' ' PHE . . . . . 0.423 ' CZ ' ' HG3' ' A' ' 157' ' ' MET . 17.9 t80 -73.27 -33.16 65.1 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.883 0.373 . . . . 0.0 110.787 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.409 ' HA ' HD13 ' A' ' 154' ' ' LEU . 0.9 OUTLIER -62.78 -29.28 70.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.982 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -86.67 -29.73 22.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 156' ' ' PHE . . . . . 0.682 ' O ' HG13 ' A' ' 160' ' ' VAL . 13.4 t80 -73.3 -41.82 63.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.845 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 157' ' ' MET . . . . . 0.423 ' HG3' ' CZ ' ' A' ' 153' ' ' PHE . 0.8 OUTLIER -81.14 -1.52 44.83 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.212 179.804 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 11.0 tttt -90.66 50.41 1.81 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.914 0.387 . . . . 0.0 110.67 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 104.31 89.99 2.14 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.3 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 160' ' ' VAL . . . . . 0.682 HG13 ' O ' ' A' ' 156' ' ' PHE . 0.0 OUTLIER -107.97 -53.88 6.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.758 0.313 . . . . 0.0 111.066 -179.846 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.906 179.985 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 162' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 163' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.326 0 CA-C-O 120.859 0.361 . . . . 0.0 111.218 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.599 ' O ' HG22 ' A' ' 82' ' ' VAL . 12.9 p -115.53 44.22 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.858 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 14.3 ptt180 -101.15 175.35 5.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.979 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 13.3 p -63.04 135.4 57.24 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.948 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -105.18 -31.3 9.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 26.3 mttp -97.74 139.27 33.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.842 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 16.2 p-10 -95.15 162.99 13.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.968 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -99.22 -36.83 9.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.856 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 12.8 m -80.48 115.64 20.11 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.956 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.5 mtpp -110.12 127.73 55.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.83 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -76.85 99.9 1.42 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.407 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 31.7 mttt -61.71 84.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.9 0.381 . . . . 0.0 110.99 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.613 HG23 ' H ' ' A' ' 95' ' ' GLU . 11.8 t -88.65 -168.03 2.07 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.961 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -61.47 -33.14 73.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.613 ' H ' HG23 ' A' ' 93' ' ' THR . 0.2 OUTLIER -56.07 -28.96 59.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.885 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -91.01 17.79 7.52 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.403 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.543 HD22 ' CE2' ' A' ' 153' ' ' PHE . 13.4 mt -64.99 -18.94 65.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.637 -0.256 . . . . 0.0 111.17 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.1 p -73.11 -33.55 65.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.819 0.342 . . . . 0.0 110.993 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -59.09 -42.11 89.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.819 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.483 HD23 ' HG3' ' A' ' 103' ' ' MET . 11.3 mt -78.5 -17.32 56.41 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.175 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.435 ' CZ ' ' HA ' ' A' ' 149' ' ' ASP . 67.9 t80 -58.52 -43.97 89.37 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.812 0.339 . . . . 0.0 111.168 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.23 -31.01 69.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.837 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' MET . . . . . 0.483 ' HG3' HD23 ' A' ' 100' ' ' LEU . 13.3 mmm -63.69 -20.63 65.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.228 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.531 ' HB3' HD13 ' A' ' 112' ' ' ILE . 0.4 OUTLIER -94.09 -21.95 18.8 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.157 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -79.63 146.95 32.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.016 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.796 ' CD ' HG21 ' A' ' 119' ' ' ILE . 0.1 OUTLIER -99.03 -37.95 9.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.953 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 38.0 p-10 -107.13 -8.89 16.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.333 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 64.5 66.29 0.61 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.886 0.374 . . . . 0.0 111.107 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -111.4 -29.42 7.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.971 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 125.19 -3.65 8.34 Favored Glycine 0 CA--C 1.519 0.303 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.794 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.442 ' CD2' ' HB3' ' A' ' 149' ' ' ASP . 6.2 m-85 -147.22 152.58 38.6 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.722 0.296 . . . . 0.0 110.822 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.531 HD13 ' HB3' ' A' ' 104' ' ' PHE . 2.6 mt -127.51 152.1 35.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.117 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 23.7 p-10 -137.59 -173.64 3.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.961 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 6.6 tp -57.95 -35.02 70.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.993 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.84 -56.89 10.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.837 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.34 -45.26 84.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.913 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.441 HD21 ' HB3' ' A' ' 136' ' ' LEU . 25.5 tp -55.08 -29.25 57.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.02 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.41 -28.72 64.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.838 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.796 HG21 ' CD ' ' A' ' 106' ' ' LYS . 28.0 mm -71.18 -25.46 25.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.235 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 5.4 tmm? -82.21 -32.5 29.79 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.063 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.741 HD12 HG13 ' A' ' 128' ' ' ILE . 3.4 mm? -73.4 -30.61 63.38 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.16 -179.826 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -69.57 -39.62 77.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.001 0.429 . . . . 0.0 110.524 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -52.03 -43.38 63.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.95 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.25 178.74 0.25 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.356 179.594 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -112.74 17.59 22.86 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.524 -0.846 . . . . 0.0 112.733 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -107.07 124.27 49.42 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.815 0.341 . . . . 0.0 110.865 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 81.5 p -65.21 104.14 0.88 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.292 -179.723 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.741 HG13 HD12 ' A' ' 121' ' ' LEU . 42.4 mm -105.89 158.0 6.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.828 179.624 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 129' ' ' THR . . . . . 0.496 ' N ' HG22 ' A' ' 128' ' ' ILE . 0.7 OUTLIER -101.68 158.2 16.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.902 179.84 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.19 -30.23 67.3 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.81 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -76.55 -27.83 56.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.063 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.16 -40.91 74.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.882 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 15.9 mt -69.49 -21.12 24.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.287 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -59.05 -35.72 73.81 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.882 0.372 . . . . 0.0 110.956 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -82.63 -19.51 38.14 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.207 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.441 ' HB3' HD21 ' A' ' 117' ' ' LEU . 0.1 OUTLIER -59.69 -46.76 88.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.777 0.322 . . . . 0.0 110.981 -179.939 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.9 -23.7 55.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.31 -179.823 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 20.9 mttt -55.99 -67.82 0.26 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.209 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 24.3 p-10 -57.5 -21.2 36.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.628 -179.696 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 140' ' ' GLY . . . . . 0.433 ' HA2' ' CG ' ' A' ' 156' ' ' PHE . . . -80.22 -44.24 9.0 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.528 -0.844 . . . . 0.0 112.271 179.798 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -68.39 127.27 32.35 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-O 120.801 0.334 . . . . 0.0 110.977 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 3.9 mmmp? -103.31 -18.87 14.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.173 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 23.8 p30 -102.11 -21.24 14.46 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.82 0.343 . . . . 0.0 110.888 179.662 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 1.5 t30 75.7 56.97 0.06 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.278 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -108.44 -32.52 7.39 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.122 179.087 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 118.16 13.85 6.84 Favored Glycine 0 N--CA 1.451 -0.307 0 CA-C-N 115.768 -0.651 . . . . 0.0 112.836 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 19.8 mtt85 -144.51 -170.82 3.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.871 0.367 . . . . 0.0 110.817 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 33.4 mt -148.79 138.92 16.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.108 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 149' ' ' ASP . . . . . 0.442 ' HB3' ' CD2' ' A' ' 111' ' ' TYR . 51.1 p30 -134.22 170.71 15.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.814 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 41.2 t80 -59.89 -24.08 63.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.205 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -69.83 -63.22 1.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.916 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -70.55 -25.52 63.13 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.144 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 153' ' ' PHE . . . . . 0.543 ' CE2' HD22 ' A' ' 97' ' ' LEU . 19.8 t80 -62.37 -30.65 71.34 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.761 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.23 -28.33 69.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.917 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -87.8 -31.98 19.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.007 0.432 . . . . 0.0 110.766 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 156' ' ' PHE . . . . . 0.486 ' CE1' HG11 ' A' ' 160' ' ' VAL . 14.3 t80 -65.35 -26.46 68.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.022 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -97.31 14.38 26.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.27 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.65 35.14 0.96 Allowed 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 116.548 -0.297 . . . . 0.0 111.277 -179.654 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 104.24 80.97 1.46 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.75 179.7 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 160' ' ' VAL . . . . . 0.486 HG11 ' CE1' ' A' ' 156' ' ' PHE . 0.7 OUTLIER -114.36 -36.38 2.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.746 0.307 . . . . 0.0 111.16 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.978 179.999 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 162' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 163' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.778 0.323 . . . . 0.0 111.219 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 19.9 t 69.0 -67.35 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.191 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.29 83.39 5.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.952 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -174.18 113.45 0.18 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.89 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 61.42 112.77 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.61 95.34 1.08 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.879 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -72.43 89.23 1.24 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.951 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.1 p30 -105.5 173.42 6.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.961 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 83.6 p -99.11 36.42 1.72 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.935 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.24 126.97 35.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -87.27 -175.72 48.86 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.583 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 33.7 mttm -53.01 115.7 1.99 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.777 0.322 . . . . 0.0 111.095 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.714 HG23 ' H ' ' A' ' 95' ' ' GLU . 11.1 t -100.5 -167.63 1.47 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.906 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.41 -28.81 67.27 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.816 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.714 ' H ' HG23 ' A' ' 93' ' ' THR . 6.6 tt0 -57.62 -26.74 62.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.932 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -91.37 18.18 7.5 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.427 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 20.4 mt -76.09 -25.47 55.53 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.106 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -67.12 -36.23 81.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.016 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.98 -40.19 78.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 4.7 mt -67.31 -27.55 67.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.009 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.44 ' CZ ' ' HA ' ' A' ' 149' ' ' ASP . 75.9 t80 -58.31 -43.34 88.09 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.02 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 7.9 mtt85 -57.82 -37.54 74.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.945 0.402 . . . . 0.0 111.029 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 4.3 mmt -62.87 -18.79 63.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.18 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -102.98 -25.39 13.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.054 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.4 ' HA ' HG12 ' A' ' 112' ' ' ILE . 6.4 t0 -96.5 93.26 6.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.898 0.38 . . . . 0.0 111.057 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 45.0 mmtm -55.57 -46.1 77.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.943 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -70.2 -30.98 68.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.989 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 62.45 53.83 2.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.161 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -110.91 -19.86 12.65 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.18 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 125.09 -10.42 7.82 Favored Glycine 0 C--N 1.331 0.269 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.785 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.435 ' CD2' ' HB3' ' A' ' 149' ' ' ASP . 1.8 m-85 -145.89 150.8 36.79 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.737 0.304 . . . . 0.0 110.774 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.4 HG12 ' HA ' ' A' ' 105' ' ' ASP . 1.3 mp -127.56 154.93 38.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.01 179.754 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 18.6 p30 -136.4 -176.65 4.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.902 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.474 ' H ' HD12 ' A' ' 114' ' ' LEU . 3.7 mp -58.61 -28.24 65.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.09 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.17 -59.75 2.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.008 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.78 -54.88 32.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.564 HD21 HD22 ' A' ' 136' ' ' LEU . 4.3 tp -51.09 -27.53 8.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.251 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.91 -35.03 70.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.923 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 7.9 mt -68.76 -36.9 76.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.096 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 6.2 tmm? -60.38 -34.41 73.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.784 HD13 HG12 ' A' ' 133' ' ' ILE . 0.2 OUTLIER -73.25 -30.95 63.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.89 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 58.9 mm-40 -60.15 -26.82 66.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.828 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -55.67 -44.53 77.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.075 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 16.3 p -69.01 169.07 12.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.639 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -112.2 23.81 15.48 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.551 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -108.14 126.27 52.58 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.789 0.328 . . . . 0.0 110.773 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 62.5 p -58.57 109.97 0.9 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.051 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.558 HG21 HD22 ' A' ' 121' ' ' LEU . 17.4 mm -104.42 157.71 5.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.076 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 129' ' ' THR . . . . . 0.447 ' N ' HG22 ' A' ' 128' ' ' ILE . 2.2 p -106.2 158.28 16.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.832 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.639 ' HA ' HD12 ' A' ' 133' ' ' ILE . 2.0 mt-10 -59.66 -30.3 68.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -72.59 -31.58 65.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.95 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.36 -41.05 98.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.784 HG12 HD13 ' A' ' 121' ' ' LEU . 2.8 mt -68.93 -28.31 39.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.202 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -66.34 -41.63 89.32 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.978 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -72.4 -29.69 63.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.091 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.564 HD22 HD21 ' A' ' 117' ' ' LEU . 0.2 OUTLIER -59.32 -49.09 79.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.981 -179.933 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 137' ' ' MET . . . . . 0.51 ' CG ' HD22 ' A' ' 117' ' ' LEU . 0.8 OUTLIER -77.91 -23.66 48.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.232 -179.941 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 4.8 tttt -55.6 -67.89 0.25 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.199 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 28.1 p-10 -60.51 -18.38 51.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.56 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -84.65 -42.63 7.21 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.461 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -78.93 133.98 36.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.883 0.373 . . . . 0.0 110.988 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 46.0 mmtt -119.96 -4.19 10.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.308 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -96.65 -7.2 34.79 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.64 0.257 . . . . 0.0 111.314 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 28.9 t30 67.31 26.22 8.58 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.705 0.288 . . . . 0.0 111.251 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -98.03 -21.88 16.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.812 179.614 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 92.5 27.7 14.48 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.842 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 5.5 mtt180 -142.48 179.64 6.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.787 0.327 . . . . 0.0 111.096 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 148' ' ' ILE . . . . . 0.571 HG23 ' HB2' ' A' ' 152' ' ' GLU . 44.4 mt -145.82 134.51 16.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.075 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 149' ' ' ASP . . . . . 0.44 ' HA ' ' CZ ' ' A' ' 101' ' ' PHE . 4.6 p30 -134.29 -171.46 2.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.79 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 150' ' ' TYR . . . . . 0.68 ' O ' HD13 ' A' ' 154' ' ' LEU . 23.5 t80 -54.75 -27.04 38.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.234 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -80.49 -47.21 14.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.938 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 152' ' ' GLU . . . . . 0.571 ' HB2' HG23 ' A' ' 148' ' ' ILE . 30.8 mm-40 -72.7 -17.33 61.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.208 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 153' ' ' PHE . . . . . 0.442 ' CE1' ' HG3' ' A' ' 157' ' ' MET . 1.5 t80 -86.21 -33.36 20.78 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 120.892 0.377 . . . . 0.0 110.827 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.68 HD13 ' O ' ' A' ' 150' ' ' TYR . 7.5 mp -75.84 -34.34 60.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.781 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -78.8 -41.3 30.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.675 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 156' ' ' PHE . . . . . 0.721 ' O ' HG22 ' A' ' 160' ' ' VAL . 37.5 t80 -68.72 -27.23 65.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.702 179.814 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 157' ' ' MET . . . . . 0.442 ' HG3' ' CE1' ' A' ' 153' ' ' PHE . 30.3 mmt -89.62 4.76 48.39 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.32 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 5.2 tttp -88.8 42.42 1.08 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.72 0.295 . . . . 0.0 111.271 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 103.98 75.49 1.05 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.453 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 160' ' ' VAL . . . . . 0.721 HG22 ' O ' ' A' ' 156' ' ' PHE . 2.4 t -74.98 -61.06 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.829 0.347 . . . . 0.0 111.025 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.896 -179.893 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 162' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 163' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 2.4 mmm . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.81 0.338 . . . . 0.0 111.186 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 21.3 t 64.25 97.04 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.083 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.1 ptm180 -98.26 173.51 6.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.975 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 60.43 20.28 9.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.173 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER 53.03 -168.53 0.05 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.845 0.355 . . . . 0.0 111.003 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -147.19 163.82 35.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.975 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -74.27 72.67 1.78 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.782 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -99.4 115.65 29.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.854 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 11.3 t -53.46 101.43 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.165 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.45 -165.4 1.11 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.624 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -70.54 65.61 0.8 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.332 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.406 ' CB ' ' HB3' ' A' ' 96' ' ' GLU . 22.4 mmtt -60.92 145.95 48.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.973 0.415 . . . . 0.0 111.102 -179.792 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -102.6 -78.87 0.53 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.987 -179.642 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -80.18 -28.85 38.67 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.621 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -79.44 -9.7 59.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.846 179.487 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.406 ' HB3' ' CB ' ' A' ' 92' ' ' LYS . 0.4 OUTLIER -86.17 -24.79 26.01 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.193 -179.898 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.531 HD22 ' HG3' ' A' ' 157' ' ' MET . 96.0 mt -55.16 -23.55 22.09 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.333 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.408 ' HA ' ' CE1' ' A' ' 150' ' ' TYR . 44.6 p -68.64 -40.45 80.27 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.801 0.334 . . . . 0.0 111.029 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -70.16 -31.48 68.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.023 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.43 -29.95 67.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.068 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.43 ' CE1' ' HA ' ' A' ' 149' ' ' ASP . 74.8 t80 -58.31 -55.94 28.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.907 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -57.42 -31.59 66.03 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.772 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 5.9 mmt -63.87 -22.5 66.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.003 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.761 ' HB3' HD13 ' A' ' 112' ' ' ILE . 5.4 m-85 -92.85 -23.19 18.9 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.983 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.32 140.98 40.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.864 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.59 -38.21 10.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.835 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 7.6 p-10 -111.92 -13.33 13.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.236 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 67.05 69.46 0.39 Allowed 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.814 0.34 . . . . 0.0 111.066 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -111.63 -2.93 15.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.498 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 102.25 -9.91 56.38 Favored Glycine 0 CA--C 1.519 0.296 0 C-N-CA 120.532 -0.842 . . . . 0.0 112.79 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.43 ' CD2' ' HB3' ' A' ' 149' ' ' ASP . 58.1 m-85 -147.64 155.27 41.61 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.744 0.306 . . . . 0.0 110.79 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.761 HD13 ' HB3' ' A' ' 104' ' ' PHE . 12.1 mt -127.84 151.36 34.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.913 0.387 . . . . 0.0 111.226 179.773 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -132.96 -176.53 4.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.881 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.545 HD21 ' HA ' ' A' ' 134' ' ' GLU . 0.1 OUTLIER -58.92 -31.17 68.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 -179.921 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.96 -59.93 2.89 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.423 ' HA ' HD12 ' A' ' 119' ' ' ILE . 18.1 mp0 -59.73 -45.27 92.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.467 HD21 ' HB3' ' A' ' 136' ' ' LEU . 59.7 tp -58.62 -30.39 67.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.006 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.598 ' HG3' HD13 ' A' ' 133' ' ' ILE . 0.0 OUTLIER -62.95 -46.33 88.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 179.942 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.423 HD12 ' HA ' ' A' ' 116' ' ' GLU . 3.9 mt -69.02 -27.68 36.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.159 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 3.3 tmm? -63.69 -54.32 37.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.826 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.644 HD23 HD13 ' A' ' 128' ' ' ILE . 10.4 mp -63.94 -22.59 66.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.209 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -64.01 -24.47 67.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.76 0.314 . . . . 0.0 110.785 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -56.76 -47.0 81.1 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.999 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 30.2 p -58.74 174.88 0.3 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.572 179.784 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -114.44 24.16 11.6 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.565 -0.826 . . . . 0.0 112.498 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -96.18 -169.37 1.91 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.838 0.351 . . . . 0.0 110.911 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 1.8 p -119.98 102.76 8.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.899 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.644 HD13 HD23 ' A' ' 121' ' ' LEU . 4.7 mt -112.72 145.39 18.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.161 -179.8 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.85 160.32 14.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.813 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.589 ' HA ' HD12 ' A' ' 133' ' ' ILE . 0.5 OUTLIER -62.26 -30.51 71.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.923 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -75.35 -31.15 60.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.85 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -64.86 -36.47 84.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.598 HD13 ' HG3' ' A' ' 118' ' ' LYS . 4.3 mt -73.05 -23.39 20.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.365 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.545 ' HA ' HD21 ' A' ' 114' ' ' LEU . 0.3 OUTLIER -62.26 -47.66 83.39 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.975 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -66.65 -23.98 66.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.192 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.467 ' HB3' HD21 ' A' ' 117' ' ' LEU . 0.2 OUTLIER -61.06 -54.13 48.62 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.915 -179.891 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 9.1 ttm -73.66 -26.91 60.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.163 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 54.7 mttt -54.84 -67.89 0.23 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.26 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 29.1 p-10 -58.84 -20.06 47.18 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.465 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -83.58 -42.61 7.73 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.53 -0.843 . . . . 0.0 112.26 179.724 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 49.6 t0 -63.41 115.5 4.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.845 0.355 . . . . 0.0 110.901 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -108.51 -25.25 11.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.931 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -83.44 -17.9 40.51 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.96 179.742 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 71.1 31.46 2.47 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.144 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 45.0 p-10 -94.94 -28.58 15.1 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.332 179.343 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 111.9 16.13 9.46 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.991 -0.623 . . . . 0.0 112.921 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 2.9 ptt180 -149.25 -175.51 5.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.824 0.345 . . . . 0.0 110.998 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 44.0 mt -134.98 148.0 29.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.31 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 149' ' ' ASP . . . . . 0.43 ' HA ' ' CE1' ' A' ' 101' ' ' PHE . 2.5 p30 -140.64 168.22 20.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.678 179.703 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 150' ' ' TYR . . . . . 0.666 ' O ' HD23 ' A' ' 154' ' ' LEU . 28.4 t80 -60.39 -26.03 66.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.568 -179.561 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.7 -61.88 1.61 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.866 0.365 . . . . 0.0 110.992 -179.761 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -69.43 -26.55 64.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.212 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 25.0 t80 -57.94 -31.3 66.69 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.789 0.328 . . . . 0.0 110.879 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.666 HD23 ' O ' ' A' ' 150' ' ' TYR . 3.0 mm? -65.69 -27.77 68.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.037 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -80.53 -38.98 28.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.874 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 156' ' ' PHE . . . . . 0.761 ' O ' HG22 ' A' ' 160' ' ' VAL . 42.9 t80 -71.02 -11.22 60.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.167 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 157' ' ' MET . . . . . 0.531 ' HG3' HD22 ' A' ' 97' ' ' LEU . 4.4 mmt -103.86 5.8 36.08 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.603 -0.271 . . . . 0.0 111.422 179.802 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.59 42.9 1.12 Allowed 'General case' 0 CA--C 1.528 0.122 0 CA-C-O 120.826 0.346 . . . . 0.0 110.982 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 104.78 79.1 1.28 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.442 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 160' ' ' VAL . . . . . 0.761 HG22 ' O ' ' A' ' 156' ' ' PHE . 2.7 t -81.09 -61.84 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.883 0.373 . . . . 0.0 111.159 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 5.6 pm0 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.893 179.982 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 162' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 163' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.788 0.328 . . . . 0.0 111.113 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 12.0 p -114.97 135.98 53.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.084 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.8 ttp180 -155.12 104.12 2.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.943 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 6.8 m 60.09 70.17 0.65 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.969 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 2.1 ttt -154.68 79.44 1.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.937 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -98.63 158.37 15.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.79 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -99.05 31.37 3.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.848 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 14.8 p-10 -83.62 66.36 8.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.86 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -85.98 54.77 3.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.989 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.02 103.55 16.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.84 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -70.71 162.18 53.73 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.405 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 4.3 mttm -72.87 61.55 0.56 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.795 0.331 . . . . 0.0 111.1 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.429 ' O ' ' HG2' ' A' ' 96' ' ' GLU . 53.4 m -102.63 -87.25 0.42 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.801 -179.704 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -83.56 -31.94 26.09 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-O 120.941 0.401 . . . . 0.0 110.774 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -69.07 -28.56 66.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.978 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.429 ' HG2' ' O ' ' A' ' 93' ' ' THR . 3.2 pt-20 -74.59 -25.2 59.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.057 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.467 HD22 ' HG3' ' A' ' 157' ' ' MET . 80.9 mt -52.87 -27.7 19.7 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.319 -179.834 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.1 p -77.75 -41.48 37.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.904 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.68 -35.22 67.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 4.7 mt -73.66 -20.82 60.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.171 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -61.81 -47.15 86.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.969 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.03 -30.96 69.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.897 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.11 -21.94 66.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.067 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -92.23 -25.98 18.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.004 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.03 153.59 39.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.921 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.466 ' HG2' HD13 ' A' ' 119' ' ' ILE . 0.1 OUTLIER -99.66 -41.95 7.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.924 179.922 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 13.7 p30 -104.4 -8.11 19.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.383 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 62.8 67.33 0.7 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.924 0.393 . . . . 0.0 111.112 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -111.37 -29.53 7.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.959 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 125.05 -0.47 8.3 Favored Glycine 0 CA--C 1.519 0.316 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.817 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.443 ' CD2' ' HB3' ' A' ' 149' ' ' ASP . 22.6 m-85 -147.32 153.79 40.14 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.773 0.321 . . . . 0.0 110.783 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 1.7 mt -127.67 149.79 32.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.957 0.408 . . . . 0.0 111.045 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 37.7 p30 -135.97 -175.23 3.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.917 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.428 HD11 ' HG3' ' A' ' 134' ' ' GLU . 0.2 OUTLIER -59.12 -29.59 67.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.918 179.879 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.71 -60.49 2.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.783 ' HA ' HD12 ' A' ' 119' ' ' ILE . 4.3 mt-10 -60.76 -48.47 81.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.803 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 15.4 tp -54.27 -29.58 47.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.029 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 1.6 tttt -62.62 -36.51 82.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.794 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.783 HD12 ' HA ' ' A' ' 116' ' ' GLU . 3.9 mt -71.32 -39.07 71.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.938 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 2.8 tmm? -60.66 -31.9 71.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.936 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.543 HD12 HG13 ' A' ' 128' ' ' ILE . 3.9 mm? -75.66 -28.55 58.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.924 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -58.4 -25.04 61.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.805 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -55.16 -43.58 74.37 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.954 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 26.7 p -61.23 158.93 13.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.671 179.642 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -77.29 -51.37 6.15 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.564 -0.826 . . . . 0.0 112.309 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -53.66 172.79 0.06 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.996 0.427 . . . . 0.0 111.289 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 43.6 p -103.51 126.24 50.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.022 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.543 HG13 HD12 ' A' ' 121' ' ' LEU . 21.2 mm -101.89 161.04 3.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.928 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 129' ' ' THR . . . . . 0.654 HG23 ' H ' ' A' ' 132' ' ' ASP . 3.8 t -114.99 163.87 14.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.954 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.81 -30.33 70.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.098 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -66.3 -46.45 76.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.041 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' ASP . . . . . 0.654 ' H ' HG23 ' A' ' 129' ' ' THR . 3.3 m-20 -59.18 -48.39 81.8 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.994 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.469 HD12 ' O ' ' A' ' 129' ' ' THR . 4.3 mt -63.97 -25.36 37.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.253 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.428 ' HG3' HD11 ' A' ' 114' ' ' LEU . 2.0 mt-10 -69.2 -35.68 76.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.07 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -82.73 -28.62 30.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.076 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 1.1 tp -56.63 -46.99 80.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.052 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 27.8 ttm -74.95 -18.54 60.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.281 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.25 -66.37 0.47 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.248 -179.737 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 27.1 p-10 -56.66 -21.09 24.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.664 -179.62 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -91.86 -25.89 21.2 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.568 -0.825 . . . . 0.0 112.489 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -77.95 93.39 4.42 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.82 0.343 . . . . 0.0 111.022 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 16.2 mmtt -91.47 -25.29 19.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.978 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -84.92 -18.72 33.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.105 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 7.5 t30 67.77 30.36 6.39 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.873 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 22.1 p-10 -101.94 14.76 31.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.181 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 65.98 21.66 69.85 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.698 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 46.1 mtt180 -157.06 159.68 38.18 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.895 0.379 . . . . 0.0 110.994 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 21.2 mt -117.93 144.7 25.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.14 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 149' ' ' ASP . . . . . 0.443 ' HB3' ' CD2' ' A' ' 111' ' ' TYR . 2.2 p30 -134.24 167.74 20.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.738 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 150' ' ' TYR . . . . . 0.461 ' O ' ' HG ' ' A' ' 154' ' ' LEU . 63.4 t80 -59.92 -26.43 65.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.37 -179.732 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.81 -62.05 1.54 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.811 0.339 . . . . 0.0 111.212 -179.686 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -69.34 -22.12 63.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.021 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 153' ' ' PHE . . . . . 0.454 ' CZ ' ' CG ' ' A' ' 157' ' ' MET . 19.4 t80 -66.54 -30.89 71.31 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.793 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' A' ' 150' ' ' TYR . 11.7 mt -57.75 -30.17 65.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.047 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -86.75 -28.38 23.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.999 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 156' ' ' PHE . . . . . 0.827 ' O ' HG22 ' A' ' 160' ' ' VAL . 17.9 t80 -76.45 -36.19 58.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.827 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 157' ' ' MET . . . . . 0.467 ' HG3' HD22 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -82.47 -2.07 52.22 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.367 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 5.9 tttt -89.6 49.96 1.83 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.821 0.344 . . . . 0.0 110.994 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 103.99 76.93 1.14 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.377 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 160' ' ' VAL . . . . . 0.827 HG22 ' O ' ' A' ' 156' ' ' PHE . 4.4 t -82.57 -56.48 5.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.847 0.356 . . . . 0.0 110.947 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.913 -179.991 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 162' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 163' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.453 ' HG3' HG13 ' A' ' 82' ' ' VAL . 17.9 ptp . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.914 0.387 . . . . 0.0 111.188 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.453 HG13 ' HG3' ' A' ' 81' ' ' MET . 5.8 m -109.09 -34.93 2.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.031 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.6 ttt85 -85.97 163.0 18.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -153.74 -172.95 4.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 39.3 mtt -72.51 -64.27 0.99 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.948 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.2 mttt 61.19 103.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.91 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -86.96 79.59 8.7 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.864 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -104.5 -42.85 5.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.844 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -101.84 133.27 46.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.862 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.29 102.11 12.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.941 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -109.88 62.81 0.28 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.483 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.415 ' CB ' ' HB3' ' A' ' 96' ' ' GLU . 0.0 OUTLIER -103.06 138.75 39.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.86 0.362 . . . . 0.0 111.013 -179.878 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 57.1 p -101.65 -76.51 0.57 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.926 -179.684 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -77.2 -44.95 28.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.583 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -60.44 -23.4 64.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.659 179.648 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.415 ' HB3' ' CB ' ' A' ' 92' ' ' LYS . 0.2 OUTLIER -75.86 -14.92 60.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.276 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 55.4 mt -52.42 -24.04 7.11 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.565 -179.691 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.5 t -62.29 -46.12 90.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.855 0.359 . . . . 0.0 110.87 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -63.98 -31.98 73.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.82 -27.68 62.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.006 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.429 ' CZ ' ' HA ' ' A' ' 149' ' ' ASP . 47.6 t80 -59.97 -54.27 48.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.054 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 1.2 mtp85 -56.59 -35.11 67.86 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.806 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 18.0 mmm -59.75 -23.26 63.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.958 179.691 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.439 ' HB3' HD13 ' A' ' 112' ' ' ILE . 9.5 m-85 -94.11 -20.33 20.0 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.039 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -84.5 149.07 26.18 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.793 0.33 . . . . 0.0 110.888 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.445 ' HG3' HD12 ' A' ' 119' ' ' ILE . 1.4 mmtm -99.31 -33.81 10.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.873 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.402 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 12.2 p-10 -106.86 -18.32 13.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.191 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.402 ' HB3' ' O ' ' A' ' 107' ' ' ASN . . . 66.82 63.6 0.48 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.856 0.36 . . . . 0.0 111.049 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -108.7 -25.81 10.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.932 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 125.21 -8.14 8.0 Favored Glycine 0 CA--C 1.518 0.268 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.781 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.438 ' CD2' ' HB3' ' A' ' 149' ' ' ASP . 13.9 m-85 -143.21 145.96 33.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.831 0.348 . . . . 0.0 110.781 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.481 HG22 ' N ' ' A' ' 113' ' ' ASP . 4.6 mt -128.29 158.1 40.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.147 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ASP . . . . . 0.481 ' N ' HG22 ' A' ' 112' ' ' ILE . 2.7 p30 -138.88 -176.87 4.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.848 -179.819 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 5.5 tt -62.01 -27.65 69.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.03 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -67.4 -59.26 3.54 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.88 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -62.86 -49.95 72.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.954 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.786 HD22 ' SD ' ' A' ' 137' ' ' MET . 22.3 tp -52.57 -24.76 8.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.359 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 9.7 tttp -76.23 -25.54 55.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.995 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.445 HD12 ' HG3' ' A' ' 106' ' ' LYS . 30.4 mt -76.26 -33.55 24.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.749 -179.488 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -82.59 -35.98 26.6 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 111.692 0.256 . . . . 0.0 111.692 -179.314 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.671 HD12 ' N ' ' A' ' 122' ' ' GLN . 4.6 pp -76.8 -33.15 58.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.543 0.211 . . . . 0.0 111.465 -179.51 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' GLN . . . . . 0.671 ' N ' HD12 ' A' ' 121' ' ' LEU . 3.9 pt20 -63.18 -41.04 99.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.072 0.463 . . . . 0.0 110.525 179.787 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.404 ' N ' ' HG3' ' A' ' 122' ' ' GLN . . . -48.5 -31.8 6.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.242 179.793 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 26.2 p -56.79 -176.71 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.57 179.652 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -114.32 17.97 18.59 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.667 -0.777 . . . . 0.0 112.64 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -101.56 -169.02 1.63 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.696 0.284 . . . . 0.0 110.791 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 68.2 p -119.76 108.96 15.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.817 0.342 . . . . 0.0 110.944 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.471 HG13 HD13 ' A' ' 121' ' ' LEU . 21.5 mm -104.71 141.13 20.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.039 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 67.8 p -105.05 154.72 19.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.938 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -58.94 -30.9 68.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.847 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -75.1 -32.88 61.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.897 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -67.54 -42.73 82.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.029 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.439 HD13 HD21 ' A' ' 121' ' ' LEU . 19.0 mt -66.29 -26.37 37.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.365 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -72.05 -31.18 65.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -80.56 -30.49 37.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.999 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.521 HD22 HD21 ' A' ' 117' ' ' LEU . 0.2 OUTLIER -59.2 -49.07 79.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.986 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 137' ' ' MET . . . . . 0.786 ' SD ' HD22 ' A' ' 117' ' ' LEU . 45.8 mmm -75.4 -23.02 57.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.159 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 4.4 tptt -56.79 -67.06 0.34 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.785 0.326 . . . . 0.0 111.112 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 29.1 p-10 -59.8 -19.25 49.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.627 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -86.94 -37.9 8.23 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.469 -0.872 . . . . 0.0 112.294 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -67.55 97.27 0.58 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.857 0.361 . . . . 0.0 110.926 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 6.8 mmtm -81.92 -23.9 35.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.962 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 19.0 p-10 -104.45 -7.95 19.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.156 179.728 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 10.5 m120 62.46 39.11 12.19 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-O 120.758 0.313 . . . . 0.0 111.162 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 50.0 p-10 -97.07 13.92 27.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.231 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 68.66 23.6 75.47 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.778 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 8.2 mtm-85 -157.19 -171.11 3.49 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.801 0.334 . . . . 0.0 111.039 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 47.1 mt -148.68 141.81 18.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.857 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 149' ' ' ASP . . . . . 0.438 ' HB3' ' CD2' ' A' ' 111' ' ' TYR . 4.5 p30 -134.44 169.91 16.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.005 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 150' ' ' TYR . . . . . 0.693 ' O ' HD23 ' A' ' 154' ' ' LEU . 48.7 t80 -60.03 -24.29 64.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.298 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.62 -61.08 1.97 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.93 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -74.08 -22.81 59.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.182 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 27.8 t80 -63.51 -35.09 79.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.814 0.34 . . . . 0.0 110.93 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.693 HD23 ' O ' ' A' ' 150' ' ' TYR . 2.9 mm? -64.54 -24.73 67.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.109 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -87.92 -36.09 17.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.879 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 156' ' ' PHE . . . . . 0.439 ' CD1' HG11 ' A' ' 160' ' ' VAL . 14.5 t80 -58.99 -34.95 72.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.8 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.44 15.63 17.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.092 179.721 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 8.0 tttp -92.03 34.25 1.02 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.269 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 100.21 80.46 1.52 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.563 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 160' ' ' VAL . . . . . 0.439 HG11 ' CD1' ' A' ' 156' ' ' PHE . 0.8 OUTLIER -112.84 -35.25 2.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.834 0.35 . . . . 0.0 111.192 179.883 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 162' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 163' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 6.7 mtt . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.817 0.341 . . . . 0.0 111.231 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 21.4 t 63.37 99.54 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.154 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -112.22 -64.12 1.34 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 1.7 m -118.77 158.54 25.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.943 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -168.48 33.83 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.841 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 51.2 tttt -122.01 -43.87 2.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.963 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -59.82 -29.29 68.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.948 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -60.07 -73.0 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.894 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.59 154.43 22.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.916 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 11.8 pttt -118.81 137.65 53.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.964 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -70.15 141.21 33.85 Favored Glycine 0 N--CA 1.453 -0.214 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.21 179.763 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -70.42 52.02 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.773 0.321 . . . . 0.0 111.822 -179.356 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 16.4 p -100.55 -164.01 1.08 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.614 -0.266 . . . . 0.0 110.496 179.692 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -51.53 -26.06 7.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.842 0.353 . . . . 0.0 110.962 179.771 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -60.33 -30.06 69.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.058 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -91.07 20.63 4.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.475 -179.814 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 14.3 mt -75.68 -30.7 59.47 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.811 0.339 . . . . 0.0 110.9 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 42.6 t -60.5 -31.96 70.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.0 -35.78 72.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.949 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' A' ' 100' ' ' LEU . 14.7 mt -67.36 -29.12 68.58 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.945 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -58.65 -50.78 72.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.964 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 25.1 mtt180 -59.44 -31.5 69.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.949 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -67.27 -20.5 65.65 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.067 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.524 ' HB3' HD13 ' A' ' 112' ' ' ILE . 6.6 m-85 -91.28 -27.87 18.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.721 0.296 . . . . 0.0 110.972 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.46 152.3 39.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.877 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 2.8 tptt -95.92 -40.05 9.49 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.013 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 12.2 p-10 -120.15 3.14 10.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.554 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 58.07 73.67 0.46 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.911 0.386 . . . . 0.0 111.1 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -111.7 -12.15 13.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.346 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 108.83 -8.82 34.17 Favored Glycine 0 C--N 1.332 0.324 0 C-N-CA 120.615 -0.802 . . . . 0.0 112.726 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.427 ' CD2' ' HB3' ' A' ' 149' ' ' ASP . 19.4 m-85 -151.09 156.51 41.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.798 0.332 . . . . 0.0 110.593 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.524 HD13 ' HB3' ' A' ' 104' ' ' PHE . 15.9 mt -128.12 155.81 39.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.188 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' ASP . . . . . 0.434 ' N ' HG22 ' A' ' 112' ' ' ILE . 2.5 t0 -139.05 -169.15 2.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.971 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.428 HD13 ' HA ' ' A' ' 114' ' ' LEU . 4.0 mm? -64.63 -38.43 90.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.11 -179.848 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -61.24 -53.1 61.18 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.991 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -64.95 -55.79 17.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.915 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.63 HD22 ' HG2' ' A' ' 137' ' ' MET . 27.2 tp -51.64 -27.9 12.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.254 -179.826 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 16.6 tttm -72.22 -35.16 68.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.943 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 19.5 mt -74.93 -32.12 26.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.15 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 6.6 tmm? -67.67 -39.79 84.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.99 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.403 HD13 HG23 ' A' ' 133' ' ' ILE . 0.9 OUTLIER -71.84 -19.92 61.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.229 -179.877 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -65.3 -25.77 67.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.699 0.285 . . . . 0.0 110.828 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -56.26 -46.08 79.82 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.076 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 16.0 p -56.61 175.13 0.12 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.776 179.733 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -114.15 21.36 15.5 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.627 -0.797 . . . . 0.0 112.574 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -108.07 128.85 55.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.819 0.343 . . . . 0.0 110.754 -179.771 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 49.3 p -63.78 98.54 0.2 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.082 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.512 HG22 ' N ' ' A' ' 129' ' ' THR . 27.9 mm -99.08 160.23 3.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.87 179.814 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 129' ' ' THR . . . . . 0.512 ' N ' HG22 ' A' ' 128' ' ' ILE . 0.7 OUTLIER -109.33 155.38 21.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.851 179.87 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.469 ' HA ' HD12 ' A' ' 133' ' ' ILE . 2.2 pt-20 -59.17 -29.81 67.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.909 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -72.46 -31.47 65.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.928 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.81 -46.79 74.11 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.967 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.469 HD12 ' HA ' ' A' ' 130' ' ' GLU . 5.0 mt -62.84 -19.36 23.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.438 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -72.14 -30.21 64.8 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.799 0.333 . . . . 0.0 110.983 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -65.31 -37.37 86.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.846 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 1.3 mt -59.65 -49.22 78.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.826 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 137' ' ' MET . . . . . 0.63 ' HG2' HD22 ' A' ' 117' ' ' LEU . 0.1 OUTLIER -67.31 -28.02 67.65 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.966 -179.941 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -58.0 -71.46 0.11 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.091 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 139' ' ' ASP . . . . . 0.404 ' OD1' ' N ' ' A' ' 140' ' ' GLY . 30.1 p-10 -60.1 -22.12 62.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.427 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 140' ' ' GLY . . . . . 0.404 ' N ' ' OD1' ' A' ' 139' ' ' ASP . . . -78.23 -24.9 62.63 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.386 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 29.8 t0 -87.14 132.4 33.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.788 0.328 . . . . 0.0 110.896 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 3.1 mmtm -109.11 -26.14 10.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.024 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 20.1 p-10 -106.9 1.66 24.78 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.286 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 3.2 t30 61.85 20.73 11.7 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.284 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 20.9 p-10 -63.71 -39.61 94.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.991 0.424 . . . . 0.0 110.279 179.428 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 114.23 19.12 6.41 Favored Glycine 0 CA--C 1.518 0.243 0 C-N-CA 120.856 -0.687 . . . . 0.0 112.576 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 9.3 mtt-85 -154.23 172.47 17.57 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.811 0.338 . . . . 0.0 110.792 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 27.8 mm -126.55 141.13 46.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.134 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 149' ' ' ASP . . . . . 0.427 ' HB3' ' CD2' ' A' ' 111' ' ' TYR . 2.1 p30 -134.4 -176.13 4.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.021 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 150' ' ' TYR . . . . . 0.494 ' O ' HD23 ' A' ' 154' ' ' LEU . 62.3 t80 -66.02 -29.7 70.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.291 -179.654 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -77.94 -44.94 25.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.812 0.339 . . . . 0.0 111.001 -179.841 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -76.57 -12.98 60.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.444 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -81.69 -47.13 13.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.77 0.319 . . . . 0.0 111.054 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.494 HD23 ' O ' ' A' ' 150' ' ' TYR . 3.6 mm? -55.29 -27.38 46.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.073 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -83.98 -31.26 25.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.013 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 156' ' ' PHE . . . . . 0.743 ' CE1' HG11 ' A' ' 160' ' ' VAL . 9.4 t80 -68.61 -35.81 77.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.109 -179.808 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.23 7.59 27.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.208 179.773 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 32.8 tttm -89.94 41.35 1.04 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.729 0.3 . . . . 0.0 111.243 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 104.81 87.31 1.99 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.78 179.731 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 160' ' ' VAL . . . . . 0.743 HG11 ' CE1' ' A' ' 156' ' ' PHE . 0.0 OUTLIER -114.1 30.17 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.908 0.385 . . . . 0.0 111.04 179.801 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.889 179.984 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 162' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 163' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 8.3 mtm . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 120.873 0.368 . . . . 0.0 111.102 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 6.0 m -141.85 113.05 3.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.186 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 73.6 mtt180 60.58 94.61 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.93 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 42.5 t -113.84 144.13 43.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.836 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 27.4 ttp -168.2 -63.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.891 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.79 -78.25 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.917 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -94.04 94.0 8.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.893 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 36.1 p-10 -66.86 -174.57 0.34 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.801 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.3 m -61.8 -38.85 89.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.91 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 20.6 mttp -62.25 159.7 14.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.942 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -99.78 -172.5 30.44 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.489 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.44 ' CB ' ' HB3' ' A' ' 96' ' ' GLU . 6.2 mtpt -100.06 127.89 46.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.862 0.363 . . . . 0.0 110.931 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -102.58 -81.73 0.49 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.252 -179.375 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.49 ' HA ' HD12 ' A' ' 97' ' ' LEU . 9.7 mt-10 -75.55 -30.4 59.7 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.884 0.374 . . . . 0.0 110.934 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -77.56 -13.28 59.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.948 179.663 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.44 ' HB3' ' CB ' ' A' ' 92' ' ' LYS . 0.6 OUTLIER -84.41 -26.25 28.45 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.102 -179.906 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.49 HD12 ' HA ' ' A' ' 94' ' ' GLU . 10.3 mt -67.72 -12.51 60.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.669 -179.674 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 96.8 p -71.46 -39.76 70.75 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.801 0.334 . . . . 0.0 111.002 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -75.66 -31.03 59.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.964 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 3.4 mt -68.83 -28.42 66.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.992 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.434 ' CZ ' ' HA ' ' A' ' 149' ' ' ASP . 77.2 t80 -59.83 -56.6 19.81 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.034 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.76 -31.42 64.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.859 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 65.4 mmm -64.5 -21.39 66.66 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.097 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -96.71 -24.58 15.89 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.97 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -79.4 153.06 29.99 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.996 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 5.2 mmtt -115.17 -50.91 2.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.846 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 30.6 m120 -75.05 -22.63 58.27 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.012 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 66.41 49.4 1.41 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.792 0.33 . . . . 0.0 111.024 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -101.14 -30.09 11.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.958 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 123.3 3.55 8.7 Favored Glycine 0 CA--C 1.519 0.303 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.918 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 26.6 m-85 -144.9 150.18 36.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.767 0.317 . . . . 0.0 110.819 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.455 HG22 ' N ' ' A' ' 113' ' ' ASP . 17.2 mt -128.83 156.25 41.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.99 0.424 . . . . 0.0 111.19 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' ASP . . . . . 0.455 ' N ' HG22 ' A' ' 112' ' ' ILE . 24.5 p-10 -147.02 -177.01 5.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.966 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.635 HD11 ' HA ' ' A' ' 134' ' ' GLU . 0.1 OUTLIER -60.1 -35.41 75.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.84 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -60.35 -52.04 66.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.845 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.757 ' HA ' HD12 ' A' ' 119' ' ' ILE . 1.9 tt0 -72.96 -45.48 57.77 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.145 -179.659 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.737 HD22 ' SD ' ' A' ' 137' ' ' MET . 11.4 tp -54.77 -42.07 71.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.504 -179.487 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.34 -26.18 68.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.318 -179.572 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.757 HD12 ' HA ' ' A' ' 116' ' ' GLU . 25.6 mt -74.66 -53.34 16.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.734 0.302 . . . . 0.0 111.138 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 7.6 ptm -57.66 -30.99 65.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.995 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.641 HD23 HD13 ' A' ' 128' ' ' ILE . 4.8 mp -68.2 -30.24 69.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.738 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -63.25 -23.95 67.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.728 179.636 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -57.18 -43.84 83.01 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.958 179.694 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 48.5 p -65.0 178.9 0.75 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.44 179.737 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -114.5 25.27 10.52 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.447 179.76 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -96.45 -174.46 3.05 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.851 0.358 . . . . 0.0 110.982 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 31.0 p -119.94 100.54 7.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.834 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.641 HD13 HD23 ' A' ' 121' ' ' LEU . 18.6 mt -112.85 147.68 16.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.155 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 1.8 t -112.8 163.87 14.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.775 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.68 -51.94 67.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.141 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.88 -26.95 27.36 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.179 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.94 -50.53 22.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.789 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.701 HG23 HD23 ' A' ' 117' ' ' LEU . 7.1 mt -62.02 -18.43 19.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.357 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.635 ' HA ' HD11 ' A' ' 114' ' ' LEU . 17.9 mt-10 -63.14 -53.62 50.6 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.853 0.359 . . . . 0.0 110.967 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -64.67 -22.06 66.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.251 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.413 HD12 ' HA ' ' A' ' 133' ' ' ILE . 5.4 mt -63.16 -56.55 15.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.921 0.391 . . . . 0.0 110.888 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 137' ' ' MET . . . . . 0.737 ' SD ' HD22 ' A' ' 117' ' ' LEU . 37.0 mmm -74.46 -21.75 59.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.086 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 17.7 mttt -46.93 -61.39 1.89 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.497 -179.733 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 139' ' ' ASP . . . . . 0.44 ' OD2' ' CE1' ' A' ' 156' ' ' PHE . 0.0 OUTLIER -62.22 -37.26 84.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.78 0.324 . . . . 0.0 110.36 -179.777 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 140' ' ' GLY . . . . . 0.467 ' CA ' ' CD2' ' A' ' 156' ' ' PHE . . . -66.11 -26.73 72.51 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.541 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 52.6 t0 -73.31 107.9 5.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.9 0.381 . . . . 0.0 110.982 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 13.7 mmtp -106.27 -31.8 8.47 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.745 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 13.6 p-10 -91.59 -1.44 57.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.222 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 61.52 28.01 17.39 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.316 179.777 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 42.3 p-10 -89.92 -27.39 19.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.944 0.402 . . . . 0.0 110.774 179.659 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 98.22 28.31 8.2 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.554 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 147' ' ' ARG . . . . . 0.657 ' O ' HD13 ' A' ' 148' ' ' ILE . 57.3 mtt180 -148.17 -176.48 5.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.788 0.327 . . . . 0.0 111.025 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 148' ' ' ILE . . . . . 0.657 HD13 ' O ' ' A' ' 147' ' ' ARG . 30.7 mm -144.86 142.36 23.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.991 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 149' ' ' ASP . . . . . 0.434 ' HA ' ' CZ ' ' A' ' 101' ' ' PHE . 21.9 p30 -134.46 -175.71 3.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.847 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 150' ' ' TYR . . . . . 0.466 ' O ' HD23 ' A' ' 154' ' ' LEU . 67.3 t80 -57.78 -24.34 56.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.233 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 46.7 m-20 -81.24 -45.76 15.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.931 0.396 . . . . 0.0 110.872 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 152' ' ' GLU . . . . . 0.57 ' HB2' HG23 ' A' ' 148' ' ' ILE . 4.7 mm-40 -71.21 -28.5 64.25 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.048 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -72.39 -39.04 68.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.886 0.374 . . . . 0.0 110.958 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.466 HD23 ' O ' ' A' ' 150' ' ' TYR . 1.3 mm? -58.78 -29.49 66.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.946 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -88.74 -33.11 17.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.932 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 156' ' ' PHE . . . . . 0.467 ' CD2' ' CA ' ' A' ' 140' ' ' GLY . 1.0 OUTLIER -59.38 -40.5 86.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.831 -179.895 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.12 13.03 20.13 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.09 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 6.4 ttpp -92.23 36.05 0.99 Allowed 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.247 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 99.08 79.17 1.44 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.655 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -113.54 30.8 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.771 0.32 . . . . 0.0 111.075 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.884 -179.996 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 162' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 163' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 1.9 mtm . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.89 0.376 . . . . 0.0 111.09 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.474 HG22 ' N ' ' A' ' 83' ' ' ARG . 9.5 p -170.04 157.88 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.055 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.474 ' N ' HG22 ' A' ' 82' ' ' VAL . 1.3 tpt180 -66.69 -62.97 1.18 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 60.8 m -88.12 105.11 17.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 6.0 ttt -87.41 -33.34 19.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.896 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 11.4 tttt 61.94 117.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.016 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -60.02 171.71 0.92 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -92.83 -77.95 0.43 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.924 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 2.9 p -54.24 88.06 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.499 -179.649 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.8 mtpm? -103.96 -172.76 2.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.705 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -66.44 101.39 0.62 Allowed Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.608 -0.806 . . . . 0.0 112.535 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.453 ' CB ' ' HB3' ' A' ' 96' ' ' GLU . 22.8 mttt -101.58 142.87 32.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.736 0.303 . . . . 0.0 110.935 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 57.8 p -101.13 -79.11 0.51 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.934 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -77.81 -41.1 38.36 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.62 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -63.52 -21.74 66.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.708 179.547 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.453 ' HB3' ' CB ' ' A' ' 92' ' ' LYS . 0.2 OUTLIER -77.31 -18.65 57.32 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.188 179.889 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.584 HD22 ' CE2' ' A' ' 153' ' ' PHE . 61.4 mt -55.73 -21.47 18.88 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.627 -179.679 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.8 t -62.3 -45.08 94.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.836 0.35 . . . . 0.0 110.845 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -63.27 -45.27 92.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.966 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.77 -26.06 63.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.203 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.435 ' CZ ' ' HA ' ' A' ' 149' ' ' ASP . 53.8 t80 -57.88 -53.33 59.44 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.064 -179.829 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -56.93 -34.62 68.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.961 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 3.9 mmt -61.54 -50.77 71.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.791 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.649 ' HB3' HD13 ' A' ' 112' ' ' ILE . 22.5 m-85 -62.98 -25.27 68.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.095 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -80.51 151.26 29.3 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.921 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.597 ' HD2' HG21 ' A' ' 119' ' ' ILE . 0.0 OUTLIER -113.06 -44.57 3.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.88 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.415 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 39.0 p30 -89.64 -19.21 25.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.193 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.415 ' HB3' ' O ' ' A' ' 107' ' ' ASN . . . 67.64 40.54 2.5 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.043 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 34.4 p-10 -86.32 -15.49 40.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.263 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 112.35 -2.44 26.59 Favored Glycine 0 CA--C 1.518 0.231 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.797 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -150.18 160.74 43.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.8 0.333 . . . . 0.0 110.898 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.764 HG23 ' HB3' ' A' ' 116' ' ' GLU . 13.6 mt -126.96 145.88 33.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.656 179.775 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -131.7 -177.52 4.46 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.971 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.64 HD22 ' HG3' ' A' ' 137' ' ' MET . 3.7 mm? -53.02 -34.29 55.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.147 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.36 -56.0 8.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.926 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.764 ' HB3' HG23 ' A' ' 112' ' ' ILE . 0.4 OUTLIER -63.31 -45.73 89.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 -179.893 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.441 HD21 ' HB3' ' A' ' 136' ' ' LEU . 16.6 tp -55.26 -39.48 69.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.161 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.25 -26.98 66.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.98 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.597 HG21 ' HD2' ' A' ' 106' ' ' LYS . 29.0 mm -66.6 -38.17 81.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.996 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 8.2 tmm? -70.0 -41.17 74.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.945 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.818 HD13 HD12 ' A' ' 133' ' ' ILE . 0.5 OUTLIER -69.85 -31.29 69.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.986 -179.943 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 5.7 mm-40 -65.05 -27.14 68.59 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.7 179.774 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -57.06 -43.95 82.53 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.03 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 57.3 p -61.42 174.54 0.71 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.624 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -114.19 27.11 9.26 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.472 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -99.2 -168.97 1.69 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.846 0.355 . . . . 0.0 110.827 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 17.6 p -119.43 109.3 15.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.663 HG21 ' CD1' ' A' ' 133' ' ' ILE . 3.6 mp -112.22 141.77 26.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.191 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 15.9 p -97.62 161.98 13.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.894 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -59.73 -33.95 72.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.946 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -73.11 -31.04 64.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.836 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.53 -40.52 93.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.871 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.818 HD12 HD13 ' A' ' 121' ' ' LEU . 25.6 mm -67.3 -24.25 31.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.37 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.475 ' HA ' HD11 ' A' ' 114' ' ' LEU . 1.2 mt-10 -76.04 -30.22 58.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.035 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -67.93 -26.73 66.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.167 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.441 ' HB3' HD21 ' A' ' 117' ' ' LEU . 5.4 mt -68.13 -60.8 2.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.966 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 137' ' ' MET . . . . . 0.64 ' HG3' HD22 ' A' ' 114' ' ' LEU . 2.8 mmt -60.9 -28.0 68.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.023 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.62 -69.81 0.12 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.203 -179.795 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 29.3 p-10 -69.53 -20.84 63.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.604 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -73.17 -48.56 19.18 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.587 -0.816 . . . . 0.0 112.377 179.754 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -68.87 147.98 50.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.872 0.368 . . . . 0.0 111.032 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 25.5 mmtt -115.48 -13.41 11.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.403 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -113.86 9.94 17.64 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 116.693 -0.231 . . . . 0.0 111.385 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 55.56 26.9 9.63 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.73 0.3 . . . . 0.0 111.162 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -82.73 -30.2 29.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.801 179.749 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 99.84 27.5 7.88 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.748 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 147' ' ' ARG . . . . . 0.483 ' O ' HD13 ' A' ' 148' ' ' ILE . 3.9 mtt180 -144.08 179.01 7.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.806 0.336 . . . . 0.0 110.957 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 148' ' ' ILE . . . . . 0.483 HD13 ' O ' ' A' ' 147' ' ' ARG . 37.9 mm -146.09 144.21 20.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.907 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 149' ' ' ASP . . . . . 0.435 ' HA ' ' CZ ' ' A' ' 101' ' ' PHE . 3.1 p30 -138.01 -179.09 5.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 28.0 t80 -58.69 -26.58 64.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.092 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.49 -50.36 11.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.623 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -68.48 -27.4 66.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.954 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 153' ' ' PHE . . . . . 0.584 ' CE2' HD22 ' A' ' 97' ' ' LEU . 12.6 t80 -71.24 -47.31 57.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.924 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.16 -31.78 69.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.851 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -81.51 -42.9 19.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.779 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 156' ' ' PHE . . . . . 0.804 ' O ' HG22 ' A' ' 160' ' ' VAL . 29.2 t80 -68.93 -29.61 67.9 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.917 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 157' ' ' MET . . . . . 0.433 ' HG3' ' CE1' ' A' ' 153' ' ' PHE . 10.7 mmt -89.71 3.87 51.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.319 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 3.4 tttp -91.05 45.11 1.23 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.852 0.358 . . . . 0.0 111.01 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 103.86 71.02 0.84 Allowed Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.34 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 160' ' ' VAL . . . . . 0.804 HG22 ' O ' ' A' ' 156' ' ' PHE . 5.3 t -69.28 -51.19 45.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.82 0.343 . . . . 0.0 111.002 -179.74 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 -179.94 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 162' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 163' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 13.8 mmt . . . . . 0 N--CA 1.485 1.318 0 CA-C-O 120.839 0.352 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 11.2 p -115.15 -38.3 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.152 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 3.9 ttp180 -155.84 121.46 4.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 1.7 m 60.63 169.26 0.09 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 3.4 ttt -111.32 99.47 8.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.84 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -119.64 32.23 6.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.836 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -110.32 -77.34 0.59 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.04 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.1 p30 -112.49 31.18 6.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.017 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.37 -72.58 0.15 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.005 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.46 129.49 55.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.951 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -87.82 -177.23 47.99 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.583 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 33.5 mtmm -54.93 105.15 0.14 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.87 0.366 . . . . 0.0 111.1 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.51 -171.03 2.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.964 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.435 ' HB3' HD12 ' A' ' 97' ' ' LEU . 3.0 mm-40 -56.55 -23.86 43.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -58.57 -27.74 64.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.074 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -87.71 -0.8 57.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.645 -179.815 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.435 HD12 ' HB3' ' A' ' 94' ' ' GLU . 26.0 mt -58.01 -26.15 62.03 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.722 0.296 . . . . 0.0 111.215 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 21.7 p -57.2 -30.12 64.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.837 0.351 . . . . 0.0 111.159 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -73.12 -34.74 66.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.022 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.422 ' O ' ' HG3' ' A' ' 103' ' ' MET . 10.0 mt -69.47 -22.78 63.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.139 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -73.8 -42.35 61.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.403 -179.407 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.92 -53.0 63.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.881 0.372 . . . . 0.0 111.202 -179.489 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' MET . . . . . 0.422 ' HG3' ' O ' ' A' ' 100' ' ' LEU . 0.0 OUTLIER -56.98 -43.58 81.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 -179.9 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -62.77 -32.82 74.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.401 ' HB2' HD11 ' A' ' 112' ' ' ILE . 24.3 t0 -85.12 93.08 8.55 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.78 179.791 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.516 ' HD3' HG21 ' A' ' 119' ' ' ILE . 6.7 tptt -54.76 -47.05 74.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.942 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -74.39 -29.94 61.74 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 60.45 51.6 5.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.152 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -111.7 4.28 18.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.388 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 103.37 -15.58 53.74 Favored Glycine 0 C--N 1.332 0.351 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.757 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.42 ' CD2' ' HB3' ' A' ' 149' ' ' ASP . 13.3 m-85 -142.21 149.19 39.33 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.749 0.309 . . . . 0.0 110.838 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.404 HG22 ' N ' ' A' ' 113' ' ' ASP . 25.7 mt -127.84 154.23 38.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.109 179.785 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' ASP . . . . . 0.404 ' N ' HG22 ' A' ' 112' ' ' ILE . 13.4 p-10 -135.45 -175.52 3.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.024 -179.831 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 1.8 tp -59.24 -34.48 72.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.103 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.39 -53.85 51.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.81 -46.68 68.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.754 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 18.8 tp -55.72 -30.35 61.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.021 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.487 ' HG2' HD13 ' A' ' 133' ' ' ILE . 0.0 OUTLIER -61.7 -30.73 70.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.949 179.931 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.516 HG21 ' HD3' ' A' ' 106' ' ' LYS . 20.7 mt -74.01 -36.59 45.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.121 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 3.6 tmm? -61.73 -39.05 90.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.873 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.415 HD13 ' HA ' ' A' ' 121' ' ' LEU . 4.5 mm? -72.65 -29.47 63.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.05 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 10.3 mm-40 -61.16 -25.4 66.98 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.894 179.771 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -56.69 -46.31 81.25 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.102 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 16.1 p -65.24 175.28 1.71 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.627 179.772 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -114.04 27.51 9.06 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.413 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -101.15 -173.71 2.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.749 0.309 . . . . 0.0 110.837 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 32.9 p -119.64 108.33 14.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.853 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.405 HD13 ' HB3' ' A' ' 121' ' ' LEU . 3.1 mp -112.41 143.19 22.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.094 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 63.9 p -90.98 155.94 18.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.935 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -66.53 -30.25 70.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.805 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.62 -31.86 60.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.95 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.52 -34.43 75.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.917 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.515 ' HA ' HD12 ' A' ' 136' ' ' LEU . 18.5 mt -72.09 -20.49 20.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.251 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -67.93 -28.5 67.54 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.92 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -73.64 -26.29 60.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.054 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.515 HD12 ' HA ' ' A' ' 133' ' ' ILE . 0.9 OUTLIER -60.48 -46.48 89.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.853 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.67 -28.68 64.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.023 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -53.76 -66.9 0.31 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.151 -179.762 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 139' ' ' ASP . . . . . 0.416 ' OD1' ' N ' ' A' ' 140' ' ' GLY . 17.0 p-10 -68.17 -34.24 75.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.337 -179.806 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 140' ' ' GLY . . . . . 0.428 ' HA2' ' CG ' ' A' ' 156' ' ' PHE . . . -66.81 -36.75 91.62 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.619 -0.801 . . . . 0.0 112.173 179.697 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 55.7 t0 -73.7 130.52 40.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.957 0.408 . . . . 0.0 110.88 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 142' ' ' LYS . . . . . 0.4 ' HD2' ' N ' ' A' ' 142' ' ' LYS . 0.0 OUTLIER -111.64 -24.67 9.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.081 -179.825 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 23.1 p-10 -105.82 5.53 30.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.265 179.791 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 19.2 m-20 58.49 29.2 18.01 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.731 0.3 . . . . 0.0 111.108 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 37.7 p-10 -84.8 -0.35 53.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.408 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 72.81 24.12 76.64 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.569 -0.824 . . . . 0.0 112.693 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 15.9 mtt180 -152.9 -169.06 3.22 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.749 0.309 . . . . 0.0 110.85 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 148' ' ' ILE . . . . . 0.42 HG23 ' OE2' ' A' ' 152' ' ' GLU . 33.1 mt -148.26 138.25 16.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.245 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 149' ' ' ASP . . . . . 0.42 ' HB3' ' CD2' ' A' ' 111' ' ' TYR . 9.0 p-10 -134.06 -177.05 4.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.787 179.779 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 66.3 t80 -64.46 -27.09 68.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.58 -179.486 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -67.21 -61.46 1.91 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.786 0.327 . . . . 0.0 110.986 -179.647 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 152' ' ' GLU . . . . . 0.42 ' OE2' HG23 ' A' ' 148' ' ' ILE . 7.1 pt-20 -76.46 -6.64 52.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.549 -179.788 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 153' ' ' PHE . . . . . 0.429 ' CE2' ' HB3' ' A' ' 97' ' ' LEU . 16.9 t80 -76.33 -48.52 19.71 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-O 120.786 0.327 . . . . 0.0 110.498 179.703 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.25 -28.99 67.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -83.97 -37.55 22.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.799 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 156' ' ' PHE . . . . . 0.678 ' O ' HG13 ' A' ' 160' ' ' VAL . 12.5 t80 -66.83 -36.85 83.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.763 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.24 6.72 31.81 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.103 179.721 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -91.02 43.31 1.14 Allowed 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.824 0.345 . . . . 0.0 111.094 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 105.0 87.73 2.01 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.671 179.693 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 160' ' ' VAL . . . . . 0.678 HG13 ' O ' ' A' ' 156' ' ' PHE . 0.0 OUTLIER -113.01 -34.51 2.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.812 0.339 . . . . 0.0 111.067 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.914 179.933 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 162' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 163' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.888 0.375 . . . . 0.0 111.168 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.592 HG12 ' O ' ' A' ' 82' ' ' VAL . 16.1 t 61.22 29.11 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.138 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.67 -177.45 0.66 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.863 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 16.9 m -142.03 164.59 29.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.927 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -173.53 174.11 3.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.832 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 24.4 mttt 61.25 31.48 19.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.989 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -102.81 108.19 19.32 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -102.66 105.0 15.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.996 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 42.9 p -93.24 88.02 5.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.754 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 45.2 mtpt -59.67 96.53 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.04 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -77.96 160.3 48.28 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.35 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 3.0 mttp -69.77 46.3 0.07 Allowed 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 -179.407 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 16.5 p -101.55 -160.31 0.78 Allowed 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 110.234 -0.284 . . . . 0.0 110.234 179.656 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.633 ' HA ' HD12 ' A' ' 97' ' ' LEU . 3.9 mt-10 -60.01 -19.28 51.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.828 0.347 . . . . 0.0 110.807 179.386 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.14 -29.09 65.92 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.174 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.58 -19.08 50.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.302 -179.832 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.633 HD12 ' HA ' ' A' ' 94' ' ' GLU . 10.9 mt -52.51 -26.71 13.79 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.811 0.339 . . . . 0.0 111.218 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.4 t -71.12 -39.37 72.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.922 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 57.2 m-20 -60.46 -45.88 92.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.903 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.4 -24.75 67.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.064 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.445 ' CE2' ' HA ' ' A' ' 149' ' ' ASP . 55.1 t80 -58.62 -54.26 49.01 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.852 0.358 . . . . 0.0 111.198 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.78 -33.0 66.2 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.892 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 87.1 mtp -62.64 -20.75 65.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.95 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.583 ' HB3' HD13 ' A' ' 112' ' ' ILE . 8.5 m-85 -89.87 -22.11 22.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.1 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -79.21 149.86 31.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.842 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.54 -36.82 8.65 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.92 -179.853 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 9.2 p-10 -120.0 6.31 10.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.56 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 56.1 75.34 0.34 Allowed 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.797 0.332 . . . . 0.0 111.176 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 16.6 p-10 -111.85 -19.53 12.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.237 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 112.17 -7.61 27.01 Favored Glycine 0 CA--C 1.519 0.299 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.708 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.427 ' CD2' ' HB3' ' A' ' 149' ' ' ASP . 19.5 m-85 -149.32 158.86 44.53 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.731 0.301 . . . . 0.0 110.548 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.583 HD13 ' HB3' ' A' ' 104' ' ' PHE . 4.1 mt -127.06 146.98 32.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.98 0.419 . . . . 0.0 111.081 179.776 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -136.29 -177.41 4.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.981 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.608 HD21 ' HA ' ' A' ' 134' ' ' GLU . 1.5 mt -58.28 -30.92 66.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.963 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.64 -55.72 21.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.001 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -69.79 -46.38 65.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.865 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.645 HD23 ' CG2' ' A' ' 133' ' ' ILE . 11.7 tp -52.75 -28.53 22.62 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.158 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 5.3 tttt -75.98 -30.25 58.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.841 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 44.9 mt -69.64 -42.82 80.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.135 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 5.4 ptm -68.84 -31.15 69.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.862 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.666 HD12 HG12 ' A' ' 128' ' ' ILE . 0.4 OUTLIER -65.03 -30.0 70.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.796 179.9 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 10.0 mm100 -56.76 -23.43 42.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.759 179.731 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -55.55 -41.91 73.91 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.025 179.697 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' THR . . . . . 0.503 ' OG1' HD11 ' A' ' 128' ' ' ILE . 29.8 p -59.4 158.46 9.43 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.682 179.716 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -78.39 -51.54 5.6 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.555 -0.831 . . . . 0.0 112.302 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.79 -179.67 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.868 0.366 . . . . 0.0 111.228 -179.792 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 81.6 p -111.12 124.62 52.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.95 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.666 HG12 HD12 ' A' ' 121' ' ' LEU . 3.5 mp -97.22 161.11 2.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.001 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 129' ' ' THR . . . . . 0.5 ' N ' HG22 ' A' ' 128' ' ' ILE . 4.3 m -107.13 158.45 17.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.851 179.788 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.71 -29.42 68.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.838 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -78.34 -29.1 47.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.998 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -70.57 -33.1 70.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.998 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.645 ' CG2' HD23 ' A' ' 117' ' ' LEU . 21.7 mt -76.64 -14.82 14.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.478 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.608 ' HA ' HD21 ' A' ' 114' ' ' LEU . 0.6 OUTLIER -67.54 -56.19 10.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.904 0.383 . . . . 0.0 111.055 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -57.63 -22.2 44.01 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.273 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.437 ' HB3' HD21 ' A' ' 117' ' ' LEU . 0.2 OUTLIER -58.62 -50.3 74.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.845 0.355 . . . . 0.0 111.047 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.38 -16.52 60.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.372 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 1.4 tmtt? -56.04 -73.08 0.06 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.799 0.333 . . . . 0.0 111.195 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 25.7 p-10 -57.29 -22.82 44.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.539 -179.669 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -85.75 -22.7 49.06 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.612 -0.804 . . . . 0.0 112.624 179.801 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -84.23 132.44 34.65 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.82 0.343 . . . . 0.0 110.988 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -116.38 -20.22 9.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.35 -179.844 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 20.3 p-10 -107.15 1.55 24.2 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-O 120.691 0.282 . . . . 0.0 111.443 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 18.0 m-20 61.37 28.92 18.26 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.736 0.303 . . . . 0.0 111.138 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 40.0 p-10 -85.94 -30.59 22.68 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.039 0.447 . . . . 0.0 110.555 179.692 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 104.01 20.66 10.3 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.566 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 17.3 mtt85 -142.83 -174.22 4.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.931 0.396 . . . . 0.0 110.656 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 39.5 mt -145.2 138.44 21.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.055 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 149' ' ' ASP . . . . . 0.445 ' HA ' ' CE2' ' A' ' 101' ' ' PHE . 4.7 p30 -134.14 169.43 17.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.76 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -58.33 -26.61 63.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.544 -179.593 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.76 -61.55 1.74 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.751 0.31 . . . . 0.0 111.168 -179.62 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -73.57 -15.38 61.29 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.517 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -70.82 -32.43 69.49 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.833 0.349 . . . . 0.0 110.873 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -66.5 -26.32 67.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.008 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -85.35 -33.28 22.08 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.8 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 156' ' ' PHE . . . . . 0.551 ' CD1' HG11 ' A' ' 160' ' ' VAL . 11.4 t80 -61.83 -26.81 68.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.817 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -97.59 16.76 19.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.151 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -91.59 32.53 1.08 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.407 -179.717 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 102.21 75.38 1.1 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.594 -0.812 . . . . 0.0 112.699 179.724 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 160' ' ' VAL . . . . . 0.551 HG11 ' CD1' ' A' ' 156' ' ' PHE . 0.7 OUTLIER -114.21 30.9 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.858 0.361 . . . . 0.0 111.138 179.901 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.878 179.963 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 162' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 163' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 1.7 ptm . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.803 0.335 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 27.4 t -106.56 113.52 43.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.031 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 4.8 ttt180 60.28 82.55 0.16 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.894 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 81.5 m -66.42 -32.92 74.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.845 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 24.8 ttt -70.44 128.78 37.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.839 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -136.93 -53.8 0.71 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -96.71 172.37 7.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.891 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -96.33 -177.69 4.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.29 166.38 5.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.838 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -107.89 39.13 2.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.877 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -74.77 127.27 9.45 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.377 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.534 ' HA ' ' HG3' ' A' ' 96' ' ' GLU . 41.2 mttt -75.45 71.6 2.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.856 0.36 . . . . 0.0 110.932 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 10.2 p -100.05 -161.86 0.9 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.968 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -57.94 -38.15 75.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.365 -179.672 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -53.6 -28.69 33.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.101 -179.773 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.534 ' HG3' ' HA ' ' A' ' 92' ' ' LYS . 6.2 mm-40 -91.44 23.7 3.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.252 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.496 HD22 ' CE2' ' A' ' 153' ' ' PHE . 9.7 mt -61.2 -24.28 66.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.697 0.284 . . . . 0.0 111.12 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.9 -32.7 71.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.881 0.372 . . . . 0.0 110.906 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.402 ' O ' ' HG3' ' A' ' 102' ' ' ARG . 10.9 t70 -75.67 -25.1 56.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.049 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.418 ' O ' ' CG ' ' A' ' 103' ' ' MET . 0.7 OUTLIER -84.28 -14.63 49.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.44 -179.773 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.431 ' CE2' ' HA ' ' A' ' 149' ' ' ASP . 38.5 t80 -74.47 -33.69 62.94 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 111.855 0.317 . . . . 0.0 111.855 -179.155 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.402 ' HG3' ' O ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER -59.89 -46.34 89.64 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 111.822 0.305 . . . . 0.0 111.822 -179.061 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 103' ' ' MET . . . . . 0.418 ' CG ' ' O ' ' A' ' 100' ' ' LEU . 4.4 ptp -54.52 -43.39 71.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.86 0.362 . . . . 0.0 111.022 -179.643 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -58.83 -30.62 67.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.835 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -78.92 150.42 32.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.814 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.54 ' HD3' HG21 ' A' ' 119' ' ' ILE . 2.9 tptp -95.45 -39.9 9.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.975 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 21.4 p30 -120.03 12.71 12.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.382 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 53.51 74.52 0.31 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.812 0.339 . . . . 0.0 111.236 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -111.5 -24.93 9.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.133 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 113.65 -3.47 24.66 Favored Glycine 0 CA--C 1.518 0.227 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.844 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.447 ' CD2' ' HB3' ' A' ' 149' ' ' ASP . 32.6 m-85 -147.42 153.53 39.71 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.733 0.301 . . . . 0.0 110.653 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 2.0 mt -127.68 151.1 34.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.9 0.381 . . . . 0.0 111.232 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -143.18 -177.32 5.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.8 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.506 HD22 ' SD ' ' A' ' 137' ' ' MET . 4.1 mm? -58.08 -22.83 52.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.172 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 58.9 mt-10 -67.26 -59.02 3.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.771 0.32 . . . . 0.0 111.046 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.862 ' HA ' HD12 ' A' ' 119' ' ' ILE . 6.2 mt-10 -71.98 -37.18 69.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.959 -179.769 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.737 HD23 HG22 ' A' ' 133' ' ' ILE . 10.9 tp -56.02 -41.83 75.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.248 -179.743 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.0 -28.27 67.28 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.14 -179.759 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.862 HD12 ' HA ' ' A' ' 116' ' ' GLU . 21.6 mt -74.87 -52.06 20.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.173 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 120' ' ' MET . . . . . 0.463 ' CE ' HD22 ' A' ' 121' ' ' LEU . 7.2 ptm -59.45 -32.68 70.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.008 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.661 HD23 ' O ' ' A' ' 117' ' ' LEU . 3.5 mm? -67.75 -28.28 67.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.032 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -66.02 -25.64 67.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.702 179.718 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -57.98 -46.78 84.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.981 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 44.7 p -57.98 171.83 0.48 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.648 179.731 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -114.82 19.36 15.94 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.541 179.675 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -91.29 -168.46 2.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.77 0.319 . . . . 0.0 110.985 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 77.2 p -119.82 97.56 5.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.821 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 3.0 mp -112.14 145.02 18.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.166 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' THR . . . . . 0.477 HG23 ' H ' ' A' ' 132' ' ' ASP . 1.3 t -102.78 162.95 12.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.868 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.3 -29.65 70.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.945 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.27 -30.42 60.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.001 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 132' ' ' ASP . . . . . 0.477 ' H ' HG23 ' A' ' 129' ' ' THR . 1.5 m-20 -66.68 -48.74 68.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.007 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.737 HG22 HD23 ' A' ' 117' ' ' LEU . 5.2 mt -60.95 -24.66 33.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.238 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.427 ' HG2' HD11 ' A' ' 114' ' ' LEU . 0.9 OUTLIER -73.55 -29.59 62.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.904 0.383 . . . . 0.0 111.001 -179.931 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -77.37 -31.21 54.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.95 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.73 -45.39 89.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.986 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 137' ' ' MET . . . . . 0.54 ' CG ' HD22 ' A' ' 117' ' ' LEU . 1.8 mtp -71.3 -20.95 62.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.148 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.61 -70.23 0.1 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.148 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 23.3 p-10 -63.84 -25.97 68.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.315 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -78.09 -18.44 76.62 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.576 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 29.6 t0 -98.72 85.19 3.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.824 0.345 . . . . 0.0 110.997 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 6.6 mmtt -81.95 -20.58 38.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.091 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 143' ' ' ASN . . . . . 0.409 ' HB3' 'CA ' ' A' ' 163' ' ' ' CA' . 12.2 t-20 -91.77 -21.08 20.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.945 179.802 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 71.41 33.04 1.99 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.982 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 16.8 p-10 -94.91 16.4 16.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.167 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 64.08 15.45 58.46 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.949 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 20.3 mtm180 -156.03 -175.16 5.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.888 0.375 . . . . 0.0 110.986 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 46.6 mt -141.87 143.0 27.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.123 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 149' ' ' ASP . . . . . 0.447 ' HB3' ' CD2' ' A' ' 111' ' ' TYR . 50.6 p-10 -135.67 -171.98 2.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.825 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 24.1 t80 -63.26 -24.33 67.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.337 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -80.32 -48.73 12.55 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.982 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -71.49 -24.03 61.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.164 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 153' ' ' PHE . . . . . 0.496 ' CE2' HD22 ' A' ' 97' ' ' LEU . 12.2 t80 -81.52 -31.19 32.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.868 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.39 -36.22 80.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.892 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -83.72 -30.96 26.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.735 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 156' ' ' PHE . . . . . 0.631 ' CE1' HG11 ' A' ' 160' ' ' VAL . 13.5 t80 -63.2 -40.38 97.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.885 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 2.7 mmt -88.84 8.2 30.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.238 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.53 40.57 1.04 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.697 0.284 . . . . 0.0 111.108 -179.799 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 104.29 87.32 1.99 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.625 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 160' ' ' VAL . . . . . 0.631 HG11 ' CE1' ' A' ' 156' ' ' PHE . 0.0 OUTLIER -114.05 -36.63 2.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.759 0.314 . . . . 0.0 111.108 179.788 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.852 179.883 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 162' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 163' ' ' ' CA' . . . . . 0.409 'CA ' ' HB3' ' A' ' 143' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 9.2 ttm . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.853 0.359 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.545 ' O ' HG12 ' A' ' 82' ' ' VAL . 13.3 t 59.74 34.25 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.996 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 11.6 ttm180 -173.77 144.77 1.1 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 1.7 m 60.2 169.8 0.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 15.6 mtt 64.93 -77.12 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.917 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 8.7 mttt -57.65 -178.64 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.911 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -108.52 133.43 52.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.912 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -86.54 -61.45 1.73 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.83 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 49.0 m -71.31 177.6 3.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.974 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 20.0 mttm -72.42 -171.03 0.72 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.875 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.423 ' O ' ' N ' ' A' ' 93' ' ' THR . . . -88.69 -165.84 41.67 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.58 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.471 ' HB2' ' HB3' ' A' ' 96' ' ' GLU . 1.5 pttt -62.44 75.17 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.764 0.316 . . . . 0.0 111.296 -179.734 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.423 ' N ' ' O ' ' A' ' 91' ' ' GLY . 1.2 p -102.78 -88.0 0.41 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.229 -179.569 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.494 ' HG2' HD11 ' A' ' 154' ' ' LEU . 54.1 mt-10 -82.54 -27.53 31.6 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.851 0.358 . . . . 0.0 111.032 -179.845 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -76.56 -9.36 58.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.991 179.675 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.471 ' HB3' ' HB2' ' A' ' 92' ' ' LYS . 0.5 OUTLIER -89.29 -27.98 20.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.088 -179.82 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.712 HD22 ' HG3' ' A' ' 157' ' ' MET . 72.4 mt -69.46 -14.81 63.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.568 -179.717 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 11.7 t -72.39 -42.16 65.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.761 0.315 . . . . 0.0 110.989 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.98 -27.83 63.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.991 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -78.67 -28.6 45.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.039 -179.824 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.433 ' CZ ' ' HA ' ' A' ' 149' ' ' ASP . 79.2 t80 -62.76 -54.45 38.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.008 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -54.2 -37.5 64.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.912 0.387 . . . . 0.0 110.855 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 61.1 mtt -54.74 -30.53 56.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -84.65 -22.44 29.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.966 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.56 151.23 24.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.913 0.387 . . . . 0.0 110.753 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.699 ' HD3' HG21 ' A' ' 119' ' ' ILE . 6.2 tptm -103.66 -37.41 7.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.846 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 18.5 p-10 -109.36 -12.58 14.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.283 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 64.22 60.05 1.0 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.954 0.407 . . . . 0.0 111.101 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -100.27 -23.74 14.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.046 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 125.32 -2.15 8.26 Favored Glycine 0 CA--C 1.519 0.303 0 C-N-CA 120.619 -0.801 . . . . 0.0 112.817 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.455 ' CD2' ' HB3' ' A' ' 149' ' ' ASP . 54.1 m-85 -151.78 156.38 40.11 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.951 0.405 . . . . 0.0 110.81 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 2.2 mt -127.3 148.84 32.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.699 179.533 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -133.36 -175.17 3.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.972 -179.708 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.71 -32.95 67.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.089 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -66.34 -50.79 62.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.961 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -71.99 -48.15 46.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.92 0.391 . . . . 0.0 110.889 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.642 HD21 ' HB3' ' A' ' 136' ' ' LEU . 15.7 tp -51.29 -26.52 7.53 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.32 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.471 ' HA ' HD21 ' A' ' 121' ' ' LEU . 2.7 tttt -76.84 -31.68 57.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.032 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.699 HG21 ' HD3' ' A' ' 106' ' ' LYS . 33.9 mt -76.99 -41.56 31.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.863 -179.386 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' MET . . . . . 0.462 ' HE2' ' HB3' ' A' ' 121' ' ' LEU . 0.0 OUTLIER -65.37 -37.15 86.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.554 -0.293 . . . . 0.0 111.701 -179.236 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.709 HD12 ' N ' ' A' ' 122' ' ' GLN . 3.5 pp -67.53 -19.75 65.33 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.58 0.228 . . . . 0.0 111.383 -179.745 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 122' ' ' GLN . . . . . 0.709 ' N ' HD12 ' A' ' 121' ' ' LEU . 3.1 mm-40 -57.8 -24.02 55.28 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.79 0.329 . . . . 0.0 110.871 179.785 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -55.14 -42.3 72.87 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.042 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 11.9 p -59.5 159.44 8.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.705 179.694 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -77.27 -51.07 6.31 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.499 -0.858 . . . . 0.0 112.322 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -58.89 174.38 0.36 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.901 0.381 . . . . 0.0 111.17 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 1.7 p -111.83 124.83 53.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.971 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.491 HG22 ' N ' ' A' ' 129' ' ' THR . 26.1 mm -87.49 160.08 2.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.069 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 129' ' ' THR . . . . . 0.538 HG23 ' H ' ' A' ' 132' ' ' ASP . 12.5 t -115.29 166.62 11.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.859 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.602 ' HA ' HD12 ' A' ' 133' ' ' ILE . 0.2 OUTLIER -57.97 -31.56 67.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.917 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -69.76 -42.94 73.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.887 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' ASP . . . . . 0.538 ' H ' HG23 ' A' ' 129' ' ' THR . 20.4 m-20 -66.76 -37.41 84.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.072 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.602 HD12 ' HA ' ' A' ' 130' ' ' GLU . 9.1 mt -69.65 -33.86 58.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.081 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -68.44 -55.23 12.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.939 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.11 -25.47 68.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.244 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.642 ' HB3' HD21 ' A' ' 117' ' ' LEU . 0.1 OUTLIER -60.9 -52.22 65.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.16 -179.795 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 6.0 ttm -74.63 -19.01 60.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.33 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.72 -70.96 0.13 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.766 0.317 . . . . 0.0 111.106 -179.835 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 24.8 p-10 -55.92 -21.82 22.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.732 -179.693 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -87.71 -29.2 21.88 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.613 -0.803 . . . . 0.0 112.359 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -86.08 113.78 22.42 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.907 0.384 . . . . 0.0 110.915 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -106.66 -13.04 15.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.268 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -94.45 -10.69 31.59 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.72 0.295 . . . . 0.0 111.329 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 15.8 m-20 63.58 30.25 15.07 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 120.784 0.326 . . . . 0.0 110.924 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 40.0 p-10 -102.71 13.33 34.7 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.281 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 64.67 32.91 85.78 Favored Glycine 0 C--N 1.33 0.23 0 C-N-CA 120.884 -0.674 . . . . 0.0 113.199 179.435 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 147' ' ' ARG . . . . . 0.449 ' HD2' ' CD2' ' A' ' 111' ' ' TYR . 0.8 OUTLIER -160.88 179.71 8.26 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.981 0.42 . . . . 0.0 111.248 179.768 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 148' ' ' ILE . . . . . 0.438 HG22 ' N ' ' A' ' 149' ' ' ASP . 47.0 mt -138.94 155.48 27.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.885 179.737 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 149' ' ' ASP . . . . . 0.455 ' HB3' ' CD2' ' A' ' 111' ' ' TYR . 6.7 p30 -148.8 168.74 22.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.071 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 28.6 t80 -58.73 -24.13 61.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.298 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -70.05 -59.22 3.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.149 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -79.98 -11.67 59.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.476 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 153' ' ' PHE . . . . . 0.435 ' CE1' ' HG2' ' A' ' 157' ' ' MET . 11.4 t80 -75.05 -32.12 61.47 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.825 0.345 . . . . 0.0 110.82 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.494 HD11 ' HG2' ' A' ' 94' ' ' GLU . 0.3 OUTLIER -61.27 -28.84 69.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.999 179.934 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -86.9 -26.86 23.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.01 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 156' ' ' PHE . . . . . 0.617 ' O ' HG22 ' A' ' 160' ' ' VAL . 12.9 t80 -76.66 -29.91 56.57 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.809 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 157' ' ' MET . . . . . 0.712 ' HG3' HD22 ' A' ' 97' ' ' LEU . 1.5 mmt -83.32 -1.68 53.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.361 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 8.0 mtmm -88.85 49.72 1.83 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.918 0.389 . . . . 0.0 110.926 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 103.92 77.37 1.17 Allowed Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.403 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 160' ' ' VAL . . . . . 0.617 HG22 ' O ' ' A' ' 156' ' ' PHE . 2.2 t -79.42 -62.75 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.791 0.329 . . . . 0.0 111.081 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.931 179.953 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 162' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 163' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.844 0.354 . . . . 0.0 111.192 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.42 HG12 ' N ' ' A' ' 83' ' ' ARG . 21.4 t -112.38 155.12 13.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.146 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.42 ' N ' HG12 ' A' ' 82' ' ' VAL . 1.5 mpp_? 62.87 -79.63 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.081 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 1.8 m -59.39 150.54 26.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.942 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 56.0 mtt 60.37 90.57 0.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.988 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 23.1 mttt -147.2 72.89 1.27 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.842 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -100.07 36.72 1.78 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.901 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -102.15 -46.65 4.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.918 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 69.2 m -107.08 32.08 4.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.02 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.59 146.72 42.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.936 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -104.61 143.42 15.66 Favored Glycine 0 C--N 1.33 0.232 0 C-N-CA 120.642 -0.79 . . . . 0.0 112.495 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 3.3 mmtm -59.82 130.62 47.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.83 0.347 . . . . 0.0 110.915 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.746 HG23 ' H ' ' A' ' 95' ' ' GLU . 12.2 t -100.86 -165.99 1.27 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.572 ' HG2' HD11 ' A' ' 97' ' ' LEU . 17.1 mt-10 -53.97 -24.95 18.44 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.076 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.746 ' H ' HG23 ' A' ' 93' ' ' THR . 0.7 OUTLIER -56.25 -27.12 54.0 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.941 179.82 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.04 1.43 40.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.343 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.572 HD11 ' HG2' ' A' ' 94' ' ' GLU . 41.3 mt -58.95 -28.62 66.45 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.768 0.318 . . . . 0.0 111.013 -179.844 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.405 ' HA ' ' CE1' ' A' ' 150' ' ' TYR . 23.3 p -65.45 -33.47 76.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.976 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -74.99 -29.65 60.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.023 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 8.4 mt -75.21 -28.26 59.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.049 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.433 ' CZ ' ' HA ' ' A' ' 149' ' ' ASP . 56.4 t80 -64.6 -50.07 68.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.089 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -54.64 -36.16 64.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.044 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -60.68 -50.69 72.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.72 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.527 ' HB3' HD13 ' A' ' 112' ' ' ILE . 0.7 OUTLIER -60.63 -28.2 68.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.037 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.74 141.9 51.46 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.822 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.44 ' CE ' HG21 ' A' ' 119' ' ' ILE . 15.9 tptp -82.78 -49.95 9.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.068 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 45.9 p30 -120.05 17.03 12.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.312 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 50.81 72.13 0.37 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.831 0.348 . . . . 0.0 111.33 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.6 ' OD1' 'CA ' ' A' ' 162' ' ' ' CA' . 7.4 p-10 -111.75 -2.78 15.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.498 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 97.79 -13.43 63.83 Favored Glycine 0 C--N 1.331 0.282 0 C-N-CA 120.576 -0.821 . . . . 0.0 112.709 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.422 ' CD2' ' HB3' ' A' ' 149' ' ' ASP . 23.4 m-85 -145.22 153.5 41.39 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.709 0.29 . . . . 0.0 110.729 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.527 HD13 ' HB3' ' A' ' 104' ' ' PHE . 8.4 mt -127.8 151.43 34.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.947 0.403 . . . . 0.0 111.131 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -133.05 -176.72 4.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.984 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.84 -44.25 97.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.987 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.12 -47.02 86.79 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.916 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.66 ' HA ' HD12 ' A' ' 119' ' ' ILE . 14.9 mt-10 -71.23 -51.06 26.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.798 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.576 HD21 ' HB3' ' A' ' 136' ' ' LEU . 12.5 tp -55.2 -31.14 61.19 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.085 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 15.4 tttt -67.34 -27.37 67.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.015 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.66 HD12 ' HA ' ' A' ' 116' ' ' GLU . 18.4 mt -72.86 -22.98 20.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.362 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 22.3 ttp -82.2 -34.25 29.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.292 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -73.34 -32.88 64.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.239 -179.668 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -64.43 -39.64 94.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.995 0.426 . . . . 0.0 110.56 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -48.7 -37.38 18.51 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.052 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 24.8 p -56.23 177.52 0.06 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.424 179.647 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -113.86 18.48 19.35 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.472 -0.87 . . . . 0.0 112.615 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' GLU . . . . . 0.44 ' CG ' HD11 ' A' ' 128' ' ' ILE . 13.9 pt-20 -101.73 -169.4 1.68 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.748 0.308 . . . . 0.0 110.676 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 68.4 p -119.79 102.55 8.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.745 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.44 HD11 ' CG ' ' A' ' 126' ' ' GLU . 1.7 mp -112.46 152.18 14.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.231 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 129' ' ' THR . . . . . 0.55 HG22 ' OD2' ' A' ' 132' ' ' ASP . 1.4 t -105.87 159.88 15.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.849 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -59.92 -29.72 68.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.006 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.49 -30.98 65.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.926 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 132' ' ' ASP . . . . . 0.55 ' OD2' HG22 ' A' ' 129' ' ' THR . 3.9 m-20 -69.03 -31.3 69.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.02 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 21.6 mm -70.59 -14.22 17.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.602 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -73.98 -36.53 64.56 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.747 0.308 . . . . 0.0 111.076 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.38 -26.07 67.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.136 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.576 ' HB3' HD21 ' A' ' 117' ' ' LEU . 0.9 OUTLIER -64.1 -56.48 14.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.013 -179.934 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 6.5 ttm -74.3 -20.55 60.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.23 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.21 -69.57 0.11 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.257 -179.851 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 139' ' ' ASP . . . . . 0.407 ' OD1' ' N ' ' A' ' 140' ' ' GLY . 26.9 p-10 -69.06 -24.43 64.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.432 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 140' ' ' GLY . . . . . 0.407 ' N ' ' OD1' ' A' ' 139' ' ' ASP . . . -77.08 -6.21 85.82 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.771 179.746 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 36.2 t0 -99.01 121.69 41.29 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.895 0.378 . . . . 0.0 111.024 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -113.34 -27.79 7.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.056 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 15.9 p30 -93.81 -13.15 27.65 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.233 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 144' ' ' ASN . . . . . 0.42 ' O ' ' ND2' ' A' ' 144' ' ' ASN . 0.1 OUTLIER 70.22 29.86 3.58 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 120.865 0.364 . . . . 0.0 111.345 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 40.2 p-10 -89.75 -29.77 18.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.418 179.42 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 104.54 27.56 6.04 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.45 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 21.1 mtm180 -151.62 -178.24 6.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.964 0.412 . . . . 0.0 110.893 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 25.6 mt -140.12 135.7 37.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.103 179.65 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 149' ' ' ASP . . . . . 0.433 ' HA ' ' CZ ' ' A' ' 101' ' ' PHE . 4.8 p30 -134.39 172.55 12.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.845 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 150' ' ' TYR . . . . . 0.548 ' O ' HD23 ' A' ' 154' ' ' LEU . 11.2 t80 -59.91 -26.42 65.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.286 -179.783 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.5 -62.03 1.57 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.847 0.356 . . . . 0.0 111.022 -179.749 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -73.89 -18.95 60.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.328 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 153' ' ' PHE . . . . . 0.434 ' CE1' ' HG3' ' A' ' 157' ' ' MET . 8.4 t80 -68.18 -42.84 79.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.788 0.327 . . . . 0.0 110.762 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.548 HD23 ' O ' ' A' ' 150' ' ' TYR . 2.2 mm? -55.32 -29.15 57.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.064 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -85.69 -33.4 21.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.755 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 156' ' ' PHE . . . . . 0.692 ' O ' HG22 ' A' ' 160' ' ' VAL . 14.0 t80 -69.74 -29.11 66.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 157' ' ' MET . . . . . 0.434 ' HG3' ' CE1' ' A' ' 153' ' ' PHE . 0.9 OUTLIER -93.1 3.31 55.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.154 179.876 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 18.3 tttt -91.28 45.4 1.24 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.882 0.372 . . . . 0.0 111.016 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 104.11 69.39 0.78 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.676 -0.774 . . . . 0.0 112.381 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 160' ' ' VAL . . . . . 0.692 HG22 ' O ' ' A' ' 156' ' ' PHE . 4.2 t -62.27 -30.74 49.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.797 0.332 . . . . 0.0 111.07 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.019 179.939 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 162' ' ' ' CA' . . . . . 0.6 'CA ' ' OD1' ' A' ' 109' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 163' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.822 0.344 . . . . 0.0 111.216 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 21.6 t 60.3 85.88 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.104 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.53 111.57 19.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.885 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER 66.04 -75.46 0.05 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.871 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 6.0 ptt? -130.94 -49.79 1.03 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.949 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 39.8 tttt 58.23 82.96 0.12 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.966 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.02 103.43 3.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -96.67 -22.77 16.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.139 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 19.6 t -106.54 156.24 18.77 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.969 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 26.6 mttt -104.1 87.37 2.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.87 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -109.45 38.23 3.42 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.385 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.425 ' CB ' ' HB3' ' A' ' 96' ' ' GLU . 11.3 mtmt -79.17 132.46 36.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.879 0.371 . . . . 0.0 110.903 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 75.9 p -101.1 -79.67 0.5 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.965 -179.767 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.401 ' O ' HD12 ' A' ' 97' ' ' LEU . 16.9 mt-10 -74.94 -46.4 35.89 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.974 0.416 . . . . 0.0 110.472 179.653 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -57.96 -22.42 49.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.686 179.639 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.425 ' HB3' ' CB ' ' A' ' 92' ' ' LYS . 0.0 OUTLIER -78.43 -9.32 59.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.355 179.9 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.409 HD22 ' CE2' ' A' ' 153' ' ' PHE . 19.3 mt -51.22 -25.81 6.1 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.473 -179.749 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 23.0 t -63.44 -37.53 87.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.794 0.33 . . . . 0.0 110.99 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -68.03 -44.21 77.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.075 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.418 HD12 ' OE1' ' A' ' 96' ' ' GLU . 0.2 OUTLIER -64.19 -23.92 67.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.115 -179.851 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.42 ' CZ ' ' HA ' ' A' ' 149' ' ' ASP . 63.3 t80 -63.83 -48.59 76.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.716 0.293 . . . . 0.0 111.098 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 17.1 mtp180 -56.49 -33.13 65.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.881 0.372 . . . . 0.0 111.01 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 2.3 mtt -59.77 -52.0 67.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.833 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.524 ' HB3' HD13 ' A' ' 112' ' ' ILE . 1.7 m-85 -66.64 -22.13 66.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.126 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.18 144.5 32.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.82 0.343 . . . . 0.0 110.862 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.9 tptt -110.57 -48.98 3.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.967 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.416 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 26.7 p-10 -84.89 -20.4 30.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.107 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.416 ' HB3' ' O ' ' A' ' 107' ' ' ASN . . . 67.56 45.04 1.59 Allowed 'General case' 0 C--O 1.233 0.189 0 CA-C-O 120.983 0.421 . . . . 0.0 111.074 -179.827 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 20.7 p-10 -95.79 -26.37 15.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.984 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 124.97 2.48 7.82 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.879 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.44 ' CD2' ' HB3' ' A' ' 149' ' ' ASP . 30.7 m-85 -150.36 157.07 42.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.743 0.306 . . . . 0.0 110.897 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.524 HD13 ' HB3' ' A' ' 104' ' ' PHE . 3.9 mt -127.66 148.94 32.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.956 0.408 . . . . 0.0 111.121 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -133.62 179.88 5.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.887 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.752 ' HA ' HD12 ' A' ' 117' ' ' LEU . 1.2 mp -56.37 -29.95 62.08 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.257 -179.829 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.14 -42.36 99.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.023 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.69 ' HA ' HD12 ' A' ' 119' ' ' ILE . 0.1 OUTLIER -71.56 -39.73 70.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.151 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.883 HD11 ' HG2' ' A' ' 137' ' ' MET . 38.5 mt -53.5 -44.81 69.37 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.904 ' HG2' HD13 ' A' ' 133' ' ' ILE . 0.3 OUTLIER -64.78 -34.54 78.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.512 179.644 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.69 HD12 ' HA ' ' A' ' 116' ' ' GLU . 16.0 mt -75.67 -57.24 6.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.216 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 1.3 ptm -58.48 -29.33 66.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.204 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 26.7 mt -72.63 -27.05 61.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.056 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -66.16 -25.76 67.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.824 0.345 . . . . 0.0 110.745 179.773 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -58.4 -50.41 73.79 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.81 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 13.6 p -61.48 175.85 0.55 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.446 179.779 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -114.59 19.72 16.19 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.565 -0.826 . . . . 0.0 112.425 179.763 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -86.45 -175.66 5.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.816 0.341 . . . . 0.0 110.997 -179.765 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 17.8 p -119.18 101.74 8.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.751 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 3.9 mp -111.56 138.62 39.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.153 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.96 164.75 14.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.772 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.632 ' HA ' HD12 ' A' ' 133' ' ' ILE . 0.3 OUTLIER -62.53 -45.62 92.13 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 -179.949 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.72 -30.27 66.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.919 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.41 -30.52 71.28 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.977 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.904 HD13 ' HG2' ' A' ' 118' ' ' LYS . 5.9 mt -73.79 -17.66 17.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.517 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.16 -36.03 69.21 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.797 0.332 . . . . 0.0 110.996 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -70.34 -22.44 62.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.117 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.785 HD13 ' HA ' ' A' ' 133' ' ' ILE . 2.4 mp -61.23 -53.13 60.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.856 0.36 . . . . 0.0 110.924 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 137' ' ' MET . . . . . 0.883 ' HG2' HD11 ' A' ' 117' ' ' LEU . 1.1 mmt -67.98 -26.06 65.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.11 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -51.64 -74.85 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.166 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 139' ' ' ASP . . . . . 0.406 ' OD1' ' N ' ' A' ' 140' ' ' GLY . 16.0 p-10 -58.89 -33.73 70.84 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.271 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 140' ' ' GLY . . . . . 0.406 ' N ' ' OD1' ' A' ' 139' ' ' ASP . . . -69.57 -18.31 73.64 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.59 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -98.39 118.47 35.12 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.872 0.367 . . . . 0.0 110.857 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 8.5 mmmt -98.95 -23.06 15.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.157 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 22.7 p-10 -110.34 0.63 18.06 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.394 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 2.1 m120 59.08 38.31 23.95 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.831 0.348 . . . . 0.0 110.942 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 51.3 p-10 -92.06 14.94 14.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.386 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 63.28 15.16 56.35 Favored Glycine 0 CA--C 1.518 0.272 0 C-N-CA 120.896 -0.669 . . . . 0.0 113.289 179.507 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.92 -179.62 8.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.97 0.414 . . . . 0.0 111.199 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 69.1 mt -142.91 151.28 17.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.056 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 149' ' ' ASP . . . . . 0.44 ' HB3' ' CD2' ' A' ' 111' ' ' TYR . 3.4 p30 -143.11 -177.68 5.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 150' ' ' TYR . . . . . 0.672 ' O ' HD23 ' A' ' 154' ' ' LEU . 64.0 t80 -61.56 -26.1 67.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.247 -179.853 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -77.86 -50.8 11.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.848 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -70.19 -27.24 64.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.933 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 153' ' ' PHE . . . . . 0.421 ' CZ ' ' HG3' ' A' ' 157' ' ' MET . 21.9 t80 -72.61 -34.31 67.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.872 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.672 HD23 ' O ' ' A' ' 150' ' ' TYR . 1.4 mm? -62.69 -32.3 73.36 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -87.01 -33.37 19.6 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.775 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 156' ' ' PHE . . . . . 0.728 ' O ' HG22 ' A' ' 160' ' ' VAL . 11.4 t80 -68.86 -25.8 64.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.673 179.788 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 157' ' ' MET . . . . . 0.421 ' HG3' ' CZ ' ' A' ' 153' ' ' PHE . 1.1 mmt -91.79 8.21 38.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.433 -0.348 . . . . 0.0 111.162 179.775 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 57.3 mttt -90.78 42.62 1.11 Allowed 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.811 0.338 . . . . 0.0 111.057 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 104.62 89.27 2.1 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.831 -0.7 . . . . 0.0 112.44 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 160' ' ' VAL . . . . . 0.728 HG22 ' O ' ' A' ' 156' ' ' PHE . 2.0 t -102.18 -62.13 2.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.801 0.334 . . . . 0.0 111.074 -179.793 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.851 179.947 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 162' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 163' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 22.2 mtt . . . . . 0 N--CA 1.488 1.448 0 CA-C-O 120.789 0.328 . . . . 0.0 111.243 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.401 HG22 ' N ' ' A' ' 83' ' ' ARG . 11.9 p -70.97 153.39 8.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.17 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.401 ' N ' HG22 ' A' ' 82' ' ' VAL . 14.4 mtm-85 -72.79 90.5 1.43 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.744 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 28.8 p -127.85 40.15 3.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.956 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 18.4 ptm -103.48 37.52 1.99 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 10.2 mttt -130.96 175.51 9.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.953 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -69.61 179.28 2.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.947 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -83.75 167.36 17.22 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.969 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.4 m -62.93 -36.6 83.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.952 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 20.3 mttt -58.15 161.29 4.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.046 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -86.71 -165.18 40.82 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.589 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.25 119.61 5.8 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.855 0.359 . . . . 0.0 111.114 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.686 HG23 ' H ' ' A' ' 95' ' ' GLU . 11.2 t -100.63 -160.53 0.8 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.591 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -54.2 -23.37 14.27 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.757 0.313 . . . . 0.0 111.162 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.686 ' H ' HG23 ' A' ' 93' ' ' THR . 0.6 OUTLIER -59.74 -29.34 68.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.968 179.905 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.67 -25.34 49.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.086 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 69.7 mt -54.92 -23.67 20.0 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.213 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 76.1 p -70.04 -49.47 50.88 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.957 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -63.46 -42.46 98.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.935 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 5.0 mt -59.35 -28.87 67.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.922 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.428 ' CZ ' ' HA ' ' A' ' 149' ' ' ASP . 86.7 t80 -61.19 -43.21 99.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.137 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -57.68 -45.66 85.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.964 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 3.4 mmm -53.69 -43.87 69.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.907 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.782 ' HB3' HD13 ' A' ' 112' ' ' ILE . 8.6 m-85 -67.85 -28.05 67.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.934 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -84.29 90.32 7.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.841 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.408 ' HB2' ' CG ' ' A' ' 116' ' ' GLU . 0.0 OUTLIER -56.28 -50.43 71.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.943 -179.826 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 36.4 p-10 -78.92 -27.71 43.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.059 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 65.62 63.74 0.6 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.119 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 29.8 p-10 -111.5 -20.91 12.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.124 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 124.55 0.66 8.53 Favored Glycine 0 CA--C 1.519 0.334 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.825 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.428 ' CD2' ' HB3' ' A' ' 149' ' ' ASP . 95.5 m-85 -154.4 160.45 41.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.804 0.335 . . . . 0.0 110.709 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.782 HD13 ' HB3' ' A' ' 104' ' ' PHE . 11.5 mt -128.02 151.66 35.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.175 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -132.89 173.37 11.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.833 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 1.1 mt -56.84 -29.52 62.92 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.074 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.422 ' O ' ' CG ' ' A' ' 118' ' ' LYS . 1.5 tt0 -71.22 -44.36 65.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.94 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.522 ' HA ' HD12 ' A' ' 119' ' ' ILE . 5.3 tt0 -74.1 -59.21 2.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.239 -179.603 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 53.2 tp -48.91 -30.63 6.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.769 -179.178 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.469 ' HA ' HD13 ' A' ' 133' ' ' ILE . 0.0 OUTLIER -71.73 -24.18 61.74 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.598 -0.273 . . . . 0.0 111.191 -179.601 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.522 HD12 ' HA ' ' A' ' 116' ' ' GLU . 33.9 mt -74.6 -45.24 45.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.825 0.345 . . . . 0.0 111.175 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 2.9 ttp -58.52 -32.7 69.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.977 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.594 HD22 HG12 ' A' ' 133' ' ' ILE . 0.2 OUTLIER -70.06 -19.43 63.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.215 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -64.98 -25.17 67.75 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.743 0.306 . . . . 0.0 110.837 179.747 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -55.97 -46.68 78.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.939 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 68.2 p -56.49 175.33 0.11 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.672 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -114.07 22.12 14.59 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.598 -0.811 . . . . 0.0 112.542 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -107.58 127.18 53.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.639 0.257 . . . . 0.0 110.845 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 46.0 p -65.19 99.87 0.41 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.069 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.519 HG22 ' N ' ' A' ' 129' ' ' THR . 35.5 mm -101.41 160.06 3.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.804 179.649 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 129' ' ' THR . . . . . 0.519 ' N ' HG22 ' A' ' 128' ' ' ILE . 1.8 m -107.54 160.52 15.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.721 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.92 -29.53 68.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.004 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -77.76 -29.33 50.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.028 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -69.6 -38.94 77.51 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.98 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.594 HG12 HD22 ' A' ' 121' ' ' LEU . 39.3 mt -73.33 -8.62 11.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.655 -179.857 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -74.13 -29.66 61.92 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.713 0.292 . . . . 0.0 111.081 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -63.27 -37.64 88.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.971 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.54 -45.72 92.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.892 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 137' ' ' MET . . . . . 0.582 ' HE3' HD12 ' A' ' 148' ' ' ILE . 0.0 OUTLIER -70.34 -31.3 68.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.92 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 2.8 mmmt -58.99 -75.76 0.05 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.119 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 28.9 p-10 -60.16 -20.09 56.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.511 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -79.25 -44.63 9.49 Favored Glycine 0 N--CA 1.453 -0.19 0 C-N-CA 120.564 -0.827 . . . . 0.0 112.403 179.791 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 36.5 t0 -65.54 104.89 1.08 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.762 0.315 . . . . 0.0 111.001 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 10.6 mmtp -98.49 -23.01 15.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.045 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 30.0 m120 -86.03 -13.42 47.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.117 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 68.07 37.78 2.88 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.861 0.363 . . . . 0.0 110.867 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 17.6 p-10 -112.74 15.54 19.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.195 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 61.29 30.72 74.8 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.57 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 83.7 mtt180 -157.14 178.2 10.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.873 0.368 . . . . 0.0 110.915 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 148' ' ' ILE . . . . . 0.582 HD12 ' HE3' ' A' ' 137' ' ' MET . 46.1 mt -131.83 158.33 43.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.95 179.804 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 149' ' ' ASP . . . . . 0.493 ' N ' HG22 ' A' ' 148' ' ' ILE . 2.3 p30 -154.86 167.34 30.59 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.995 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 150' ' ' TYR . . . . . 0.414 ' O ' HD23 ' A' ' 154' ' ' LEU . 78.4 t80 -56.36 -27.74 56.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.255 -179.785 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.94 -57.07 5.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.064 -179.829 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -80.09 -9.06 59.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.574 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -77.4 -37.71 51.36 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.777 0.322 . . . . 0.0 110.713 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.414 HD23 ' O ' ' A' ' 150' ' ' TYR . 3.5 mm? -67.7 -25.57 65.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.022 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -83.05 -33.28 26.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.864 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 156' ' ' PHE . . . . . 0.666 ' O ' HG22 ' A' ' 160' ' ' VAL . 26.6 t80 -76.36 -28.26 56.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.857 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.8 -2.63 58.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.387 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 2.4 tptm -90.57 49.77 1.72 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.844 0.354 . . . . 0.0 110.866 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 103.57 69.63 0.8 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.355 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 160' ' ' VAL . . . . . 0.666 HG22 ' O ' ' A' ' 156' ' ' PHE . 6.4 t -62.22 -61.52 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.854 0.359 . . . . 0.0 111.03 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 4.0 pm0 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.915 -179.943 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 162' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 163' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.887 0.375 . . . . 0.0 110.599 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.7 -19.8 62.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.858 179.665 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.95 -3.08 46.68 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.419 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.536 HD22 ' CE2' ' A' ' 153' ' ' PHE . 54.0 mt -59.51 -19.35 47.47 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.536 -179.72 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 43.4 t -69.36 -33.19 72.71 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.791 0.329 . . . . 0.0 111.085 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -81.04 -32.1 34.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.084 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 15.1 mt -68.38 -28.83 67.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.999 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.446 ' CE1' ' HA ' ' A' ' 149' ' ' ASP . 70.6 t80 -61.62 -53.17 59.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.149 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 36.0 mtm180 -56.24 -31.56 63.66 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.005 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 26.3 mtt -64.28 -20.79 66.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.141 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -95.57 -20.48 18.95 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.212 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -82.31 143.65 31.14 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.821 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 4.6 mmpt? -97.01 -33.93 11.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.998 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 34.9 p30 -116.35 -9.34 11.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.309 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 63.69 63.76 0.83 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.868 0.366 . . . . 0.0 111.033 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -104.86 -5.92 20.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.393 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 104.54 -14.03 50.56 Favored Glycine 0 C--N 1.332 0.319 0 C-N-CA 120.608 -0.806 . . . . 0.0 112.722 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -145.09 152.2 39.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.734 0.302 . . . . 0.0 110.736 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 2.8 mt -127.67 153.2 36.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.965 0.412 . . . . 0.0 111.218 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -135.92 175.02 9.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.752 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 4.0 tp -54.37 -40.64 68.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.227 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.453 ' O ' HD12 ' A' ' 119' ' ' ILE . 4.6 pt-20 -58.14 -47.92 81.84 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.898 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -71.23 -53.09 15.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.749 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.488 ' O ' HD12 ' A' ' 121' ' ' LEU . 14.8 tp -51.63 -29.02 16.19 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.173 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.544 ' HG3' HD13 ' A' ' 133' ' ' ILE . 42.1 tttt -59.97 -41.67 92.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.836 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.453 HD12 ' O ' ' A' ' 115' ' ' GLU . 2.9 mp -72.51 -26.7 24.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.136 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 4.6 ttp -69.75 -38.66 76.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.855 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.748 HD13 HG12 ' A' ' 133' ' ' ILE . 0.6 OUTLIER -67.05 -27.28 67.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.985 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 -57.24 -23.59 49.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.851 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -55.78 -45.7 78.1 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.069 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 70.5 p -65.44 170.98 4.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.563 179.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -113.84 26.46 9.99 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.556 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -101.72 -167.01 1.36 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.749 0.309 . . . . 0.0 110.849 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 5.0 p -119.19 111.04 17.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.762 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 28.7 mm -112.65 141.8 27.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.13 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 2.4 p -103.36 166.48 10.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.801 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -59.3 -30.2 68.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.919 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -76.37 -30.79 57.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.909 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -69.45 -43.55 73.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.959 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.748 HG12 HD13 ' A' ' 121' ' ' LEU . 22.0 mt -63.73 -22.32 30.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.251 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -73.23 -35.29 66.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.973 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -57.27 -32.69 66.86 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.14 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.42 HD13 HD21 ' A' ' 117' ' ' LEU . 1.7 mt -70.59 -44.98 66.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.99 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.94 -35.98 64.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.99 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 2.8 tttt -59.24 -71.2 0.13 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.99 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 28.2 p-10 -58.99 -19.73 46.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.621 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -88.59 -27.04 25.78 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.471 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 56.7 t0 -68.13 110.93 4.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.831 0.348 . . . . 0.0 110.929 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 14.0 mmmt -109.19 -30.18 8.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.994 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -87.83 -4.42 58.87 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.209 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 63.27 26.37 15.09 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.797 0.332 . . . . 0.0 111.213 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 35.8 p-10 -98.01 -22.65 16.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.714 179.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 101.4 7.69 48.39 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.812 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -128.13 -172.12 2.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.873 0.368 . . . . 0.0 110.951 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 47.4 mt -146.23 134.4 15.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.979 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . 0.446 ' HA ' ' CE1' ' A' ' 101' ' ' PHE . 5.8 p-10 -134.14 -173.4 3.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.752 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 150' ' ' TYR . . . . . 0.736 ' O ' HD23 ' A' ' 154' ' ' LEU . 8.8 t80 -58.96 -27.58 65.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.141 -179.786 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -77.09 -52.89 8.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.722 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -67.35 -25.31 65.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.027 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 153' ' ' PHE . . . . . 0.536 ' CE2' HD22 ' A' ' 97' ' ' LEU . 15.5 t80 -72.64 -41.42 65.5 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.825 0.345 . . . . 0.0 110.876 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.736 HD23 ' O ' ' A' ' 150' ' ' TYR . 3.6 mm? -63.87 -31.76 73.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.917 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -83.65 -41.57 17.63 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . 0.478 ' CD1' HG11 ' A' ' 160' ' ' VAL . 20.7 t80 -64.21 -22.48 66.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.098 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 21.3 mmt -101.0 13.27 35.76 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.429 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -91.41 35.19 0.94 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.688 0.28 . . . . 0.0 111.356 -179.712 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 104.39 81.68 1.52 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.622 -0.799 . . . . 0.0 112.674 179.621 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . 0.478 HG11 ' CD1' ' A' ' 156' ' ' PHE . 1.1 m . . . . . 0 C--N 1.328 -0.36 0 CA-C-O 120.839 0.352 . . . . 0.0 111.2 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.972 0.415 . . . . 0.0 110.246 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -56.31 -23.36 36.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.774 179.545 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.545 ' OE2' HD11 ' A' ' 100' ' ' LEU . 0.1 OUTLIER -76.71 -5.82 49.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.258 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.409 HD22 ' CE2' ' A' ' 153' ' ' PHE . 19.9 mt -51.26 -25.79 6.23 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.704 0.287 . . . . 0.0 111.41 -179.736 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 19.9 p -60.78 -31.12 70.49 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.879 0.371 . . . . 0.0 110.99 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.98 -39.7 65.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.916 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.545 HD11 ' OE2' ' A' ' 96' ' ' GLU . 4.3 mp -70.5 -24.76 62.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.094 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.439 ' CZ ' ' HA ' ' A' ' 149' ' ' ASP . 76.0 t80 -58.36 -46.58 86.0 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.018 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 15.1 mtm180 -56.78 -36.28 69.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.97 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 20.0 mmm -59.75 -21.04 60.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.106 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.464 ' HB3' HD13 ' A' ' 112' ' ' ILE . 12.7 m-85 -98.73 -20.17 17.08 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.208 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.14 151.42 22.21 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.899 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.63 -31.03 11.79 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.004 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 15.8 p30 -114.27 -14.11 12.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.302 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 64.62 62.57 0.78 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.946 0.403 . . . . 0.0 111.064 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -106.1 -25.37 12.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.999 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 125.14 -11.16 7.73 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.791 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.443 ' CD2' ' HB3' ' A' ' 149' ' ' ASP . 3.5 m-85 -143.13 146.41 33.72 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.738 0.304 . . . . 0.0 110.865 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.464 HD13 ' HB3' ' A' ' 104' ' ' PHE . 5.6 mt -128.05 154.46 38.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.035 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . 0.417 ' N ' HG22 ' A' ' 112' ' ' ILE . 1.6 p30 -138.59 -177.77 5.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.954 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.816 HD21 ' HG2' ' A' ' 134' ' ' GLU . 0.6 OUTLIER -58.24 -30.34 66.45 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.9 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.91 -57.35 10.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.773 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -72.02 -49.36 37.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.951 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.408 HD23 ' CG2' ' A' ' 133' ' ' ILE . 2.6 tp -52.86 -27.15 17.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.319 -179.774 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -74.96 -29.14 60.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.018 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 26.4 mt -71.79 -49.41 45.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.179 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 1.2 ptm -58.68 -30.22 67.21 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.823 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.911 HD21 ' HB ' ' A' ' 128' ' ' ILE . 2.2 tp -63.86 -31.44 72.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.741 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 69.5 mm-40 -62.61 -26.04 68.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.688 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -56.79 -46.82 81.32 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.06 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 20.2 p -60.39 170.19 1.44 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.567 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -113.94 23.5 12.92 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.518 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -98.7 -170.2 1.9 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.838 0.352 . . . . 0.0 110.837 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 24.7 p -120.07 100.38 7.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.774 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.911 ' HB ' HD21 ' A' ' 121' ' ' LEU . 3.9 mp -113.2 141.62 28.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.974 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 77.2 p -94.27 167.29 11.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.853 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . 0.505 ' HA ' HD12 ' A' ' 133' ' ' ILE . 0.5 OUTLIER -70.86 -30.89 67.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.796 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -75.74 -27.82 58.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.973 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -70.75 -40.5 72.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.956 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.537 HD11 HD22 ' A' ' 121' ' ' LEU . 8.1 mt -65.5 -17.54 22.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.437 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . 0.816 ' HG2' HD21 ' A' ' 114' ' ' LEU . 6.0 mt-10 -70.34 -53.24 17.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.89 0.376 . . . . 0.0 110.942 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -62.17 -20.75 64.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.224 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.27 -41.38 85.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.853 0.359 . . . . 0.0 110.966 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . 0.457 ' SD ' HD12 ' A' ' 114' ' ' LEU . 26.2 mtp -75.9 -20.56 57.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.319 -179.788 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 18.2 mmtt -56.92 -70.87 0.11 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.746 0.308 . . . . 0.0 111.201 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 22.7 p-10 -54.45 -24.42 20.07 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.567 -179.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -87.39 -23.64 39.45 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.509 -0.853 . . . . 0.0 112.567 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -81.08 97.0 7.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.814 0.34 . . . . 0.0 111.072 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 4.8 mmmt -98.06 -25.47 14.93 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.919 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -83.76 -12.31 55.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.074 179.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 62.25 29.38 17.38 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.168 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 34.8 p-10 -100.62 13.65 34.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.258 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 67.7 25.79 73.94 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.72 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 11.4 mtt180 -156.99 -172.82 4.18 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.725 0.297 . . . . 0.0 110.958 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 47.9 mt -142.32 134.95 27.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.091 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . 0.443 ' HB3' ' CD2' ' A' ' 111' ' ' TYR . 6.9 p30 -134.45 172.17 13.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.728 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 36.9 t80 -59.79 -24.02 63.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.407 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -70.13 -62.61 1.32 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.817 0.342 . . . . 0.0 111.075 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -72.84 -23.58 60.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.237 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 153' ' ' PHE . . . . . 0.409 ' CE2' HD22 ' A' ' 97' ' ' LEU . 17.4 t80 -62.16 -31.44 71.94 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.887 0.375 . . . . 0.0 110.697 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.84 -25.68 68.01 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.061 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -84.17 -34.23 24.04 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -62.86 -30.98 71.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.951 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -101.69 12.4 37.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.309 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.65 33.88 1.0 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.356 -179.736 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 103.51 73.26 0.94 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.565 -0.826 . . . . 0.0 112.598 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 1.6 m . . . . . 0 C--N 1.33 -0.275 0 CA-C-O 120.81 0.338 . . . . 0.0 111.092 179.937 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.881 0.372 . . . . 0.0 110.667 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -59.88 -29.58 68.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.829 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.01 -19.88 61.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.135 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 89.3 mt -50.08 -26.25 4.25 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.504 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 21.3 t -67.34 -49.58 63.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.826 0.346 . . . . 0.0 110.933 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -64.92 -42.24 94.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.984 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -55.43 -27.44 47.95 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.2 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.406 ' CZ ' ' HA ' ' A' ' 149' ' ' ASP . 65.9 t80 -62.48 -51.17 68.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.779 0.323 . . . . 0.0 110.967 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -56.02 -30.53 62.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.945 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 1.1 mmt -62.71 -21.98 66.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.075 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.769 ' HB3' HD13 ' A' ' 112' ' ' ILE . 3.6 m-85 -94.16 -20.11 20.17 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.111 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -92.39 147.62 22.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.799 0.333 . . . . 0.0 110.862 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.02 -29.78 11.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.921 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 22.6 p-10 -113.42 -14.34 12.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.229 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 66.03 72.25 0.4 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.857 0.361 . . . . 0.0 111.066 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -110.61 -27.35 8.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.103 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 125.13 -8.32 8.01 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.886 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.435 ' CD2' ' HB3' ' A' ' 149' ' ' ASP . 1.9 m-85 -147.85 151.91 36.74 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.821 0.343 . . . . 0.0 110.675 179.776 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.769 HD13 ' HB3' ' A' ' 104' ' ' PHE . 3.3 mt -128.09 153.69 37.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.007 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -135.63 -170.62 2.65 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.939 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 3.4 tt -66.67 -35.77 80.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.131 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -60.51 -51.07 70.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.04 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.414 ' HB3' HG23 ' A' ' 112' ' ' ILE . 0.6 OUTLIER -72.12 -53.86 11.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.962 -179.867 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.693 HD21 HD22 ' A' ' 136' ' ' LEU . 11.6 tp -51.1 -27.72 9.0 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.264 -179.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 4.9 ttmm -70.36 -28.25 64.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.023 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 30.4 mt -70.94 -48.54 55.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.13 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 6.0 ptm -61.27 -31.33 71.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.952 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.695 HD23 HG13 ' A' ' 128' ' ' ILE . 0.5 OUTLIER -70.2 -31.44 68.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.846 179.906 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -65.98 -25.89 67.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.638 179.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -57.93 -44.72 87.09 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.992 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 62.8 p -59.83 176.32 0.3 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.619 179.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -114.21 23.98 12.04 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.431 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . 0.736 ' OE1' HD11 ' A' ' 128' ' ' ILE . 15.9 pt-20 -100.38 -172.75 2.26 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.731 0.301 . . . . 0.0 110.869 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -120.02 104.7 10.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.845 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.736 HD11 ' OE1' ' A' ' 126' ' ' GLU . 24.0 mm -112.32 149.48 14.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.134 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 10.2 p -108.95 166.22 10.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.787 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . 0.581 ' HA ' HD12 ' A' ' 133' ' ' ILE . 20.7 mt-10 -64.73 -30.75 71.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -69.74 -31.54 69.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.945 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.93 -40.21 75.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.947 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.581 HD12 ' HA ' ' A' ' 130' ' ' GLU . 10.2 mt -66.91 -25.25 33.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.245 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -69.39 -39.84 77.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.88 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -70.22 -30.97 68.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.985 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.693 HD22 HD21 ' A' ' 117' ' ' LEU . 0.1 OUTLIER -59.53 -47.99 83.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.969 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . 0.522 ' SD ' HD22 ' A' ' 117' ' ' LEU . 15.8 mmm -75.19 -24.45 57.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.126 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 10.5 tptt -56.72 -68.33 0.23 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.105 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 29.8 p-10 -60.43 -19.06 54.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.534 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . 0.439 ' HA2' ' CD1' ' A' ' 156' ' ' PHE . . . -86.54 -32.43 15.93 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.59 -0.814 . . . . 0.0 112.348 179.749 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -69.2 123.06 20.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.916 0.388 . . . . 0.0 111.05 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 4.6 mmtm -108.99 -25.45 10.71 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.98 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 19.0 p-10 -104.67 -2.94 24.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.266 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 66.36 28.44 9.75 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.667 0.27 . . . . 0.0 111.115 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 42.3 p-10 -87.82 5.03 42.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.377 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 67.03 28.99 73.99 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.851 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . 0.569 ' O ' HD13 ' A' ' 148' ' ' ILE . 42.9 mtt180 -156.86 -177.23 6.46 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.813 0.34 . . . . 0.0 111.057 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . 0.569 HD13 ' O ' ' A' ' 147' ' ' ARG . 32.2 mm -141.56 141.42 30.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.083 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . 0.435 ' HB3' ' CD2' ' A' ' 111' ' ' TYR . 4.3 p30 -137.5 -176.17 4.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 150' ' ' TYR . . . . . 0.597 ' O ' HD13 ' A' ' 154' ' ' LEU . 38.3 t80 -59.94 -27.26 66.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.131 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.39 -50.05 12.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.822 0.344 . . . . 0.0 110.716 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -68.45 -26.55 65.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.092 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -73.18 -46.33 51.32 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.951 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.597 HD13 ' O ' ' A' ' 150' ' ' TYR . 5.3 mp -56.28 -32.1 64.26 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.941 -179.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -85.35 -37.21 20.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.778 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . 0.505 ' CD1' HG11 ' A' ' 160' ' ' VAL . 26.4 t80 -66.29 -26.72 67.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.066 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 1.2 mmt -96.58 11.56 34.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.363 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 8.0 mttt -91.2 37.21 0.93 Allowed 'General case' 0 C--O 1.232 0.153 0 CA-C-O 120.754 0.311 . . . . 0.0 111.476 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 100.06 82.35 1.66 Allowed Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.755 179.503 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . 0.505 HG11 ' CD1' ' A' ' 156' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--N 1.33 -0.252 0 CA-C-O 120.835 0.35 . . . . 0.0 111.16 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.829 0.347 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -79.93 -10.52 59.78 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.143 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.722 ' OE2' HD13 ' A' ' 100' ' ' LEU . 0.1 OUTLIER -84.09 -25.34 29.84 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.86 0.362 . . . . 0.0 111.109 179.881 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.776 HD21 ' HG2' ' A' ' 157' ' ' MET . 38.2 mt -57.9 -20.05 34.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.628 -179.674 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.8 t -71.18 -47.56 56.85 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.73 0.3 . . . . 0.0 110.995 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -67.55 -39.34 84.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.071 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.722 HD13 ' OE2' ' A' ' 96' ' ' GLU . 0.7 OUTLIER -70.89 -28.43 64.54 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.05 -179.872 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.437 ' CZ ' ' HA ' ' A' ' 149' ' ' ASP . 31.7 t80 -55.49 -30.35 60.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.927 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.1 -32.1 73.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.791 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 5.3 mmm -60.06 -52.55 64.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.828 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.503 ' HB3' HD13 ' A' ' 112' ' ' ILE . 1.0 OUTLIER -67.29 -26.13 66.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.997 179.913 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -82.71 151.25 26.3 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.865 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.11 -47.43 3.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.82 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -79.24 -23.17 43.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.963 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 65.21 41.06 4.63 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.845 0.355 . . . . 0.0 111.042 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 22.4 p-10 -97.96 -23.77 15.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.114 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 125.07 -1.24 8.37 Favored Glycine 0 CA--C 1.52 0.373 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.839 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.437 ' CD2' ' HB3' ' A' ' 149' ' ' ASP . 15.5 m-85 -145.43 150.81 37.19 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.819 0.342 . . . . 0.0 110.807 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.503 HD13 ' HB3' ' A' ' 104' ' ' PHE . 17.0 mt -127.95 154.34 38.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.012 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -132.94 -175.9 3.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.998 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.974 HD13 HD12 ' A' ' 117' ' ' LEU . 4.3 mm? -62.74 -33.3 74.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.24 -179.708 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -58.36 -44.82 88.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.137 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.747 ' HA ' HD12 ' A' ' 119' ' ' ILE . 9.0 mt-10 -71.82 -33.74 68.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.13 -179.728 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.974 HD12 HD13 ' A' ' 114' ' ' LEU . 86.9 mt -55.43 -48.14 74.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.764 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.678 ' HG3' HD13 ' A' ' 133' ' ' ILE . 22.1 mttt -59.54 -27.49 66.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.636 179.739 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.747 HD12 ' HA ' ' A' ' 116' ' ' GLU . 42.8 mt -75.97 -58.83 3.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.178 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 1.9 ptm -59.52 -31.12 69.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.011 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.777 HD13 HG12 ' A' ' 133' ' ' ILE . 0.8 OUTLIER -70.05 -30.83 68.19 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.893 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 7.4 mm-40 -62.92 -25.0 68.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.591 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -56.56 -46.38 80.74 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.976 179.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 11.5 p -62.57 174.86 0.89 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.496 179.688 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -114.07 19.43 17.87 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.624 -0.798 . . . . 0.0 112.588 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . 0.461 ' OE2' HD11 ' A' ' 128' ' ' ILE . 4.7 pt-20 -107.41 124.48 49.91 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.914 0.387 . . . . 0.0 110.738 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 46.7 p -59.99 104.57 0.31 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.063 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.461 HD11 ' OE2' ' A' ' 126' ' ' GLU . 29.5 mm -97.3 155.51 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.973 179.829 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . 0.444 ' N ' HG22 ' A' ' 128' ' ' ILE . 15.1 t -111.44 160.06 17.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.796 179.81 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . 0.582 ' HA ' HD12 ' A' ' 133' ' ' ILE . 56.5 mt-10 -59.34 -35.05 73.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.932 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.72 -30.81 71.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.975 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.99 -37.04 58.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.898 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.777 HG12 HD13 ' A' ' 121' ' ' LEU . 16.8 mt -69.56 -31.85 50.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.127 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -65.6 -57.38 8.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.977 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.09 -21.59 46.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.23 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.25 -50.22 74.35 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.843 0.354 . . . . 0.0 110.874 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . 0.619 ' HG2' HD11 ' A' ' 117' ' ' LEU . 0.0 OUTLIER -72.03 -22.24 61.42 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.195 -179.936 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 10.6 tttt -49.84 -72.49 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.809 0.338 . . . . 0.0 111.348 -179.69 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . 0.423 ' OD2' ' CZ ' ' A' ' 156' ' ' PHE . 19.2 p-10 -63.61 -31.52 72.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.358 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . 0.417 ' N ' ' OD1' ' A' ' 139' ' ' ASP . . . -69.65 -26.08 74.83 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.491 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -88.91 117.98 28.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.787 0.327 . . . . 0.0 110.854 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.75 -24.81 16.33 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.096 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 31.1 p30 -116.35 18.04 15.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.108 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 15.8 p30 43.2 42.98 3.75 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.643 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 35.9 p-10 -93.06 14.36 18.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.278 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 62.86 15.87 55.88 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.944 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 49.3 mtt180 -149.1 -177.88 6.07 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.788 0.327 . . . . 0.0 110.934 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 36.1 mt -148.4 137.69 15.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.26 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . 0.437 ' HA ' ' CZ ' ' A' ' 101' ' ' PHE . 4.1 p30 -134.16 177.86 7.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.591 179.631 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 150' ' ' TYR . . . . . 0.773 ' CZ ' HD21 ' A' ' 154' ' ' LEU . 19.8 t80 -56.71 -38.28 72.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.83 0.348 . . . . 0.0 110.95 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.48 -55.41 31.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.697 179.802 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -71.07 -27.77 63.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.057 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 153' ' ' PHE . . . . . 0.603 ' CE2' HD22 ' A' ' 97' ' ' LEU . 10.7 t80 -72.33 -42.74 65.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.886 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.773 HD21 ' CZ ' ' A' ' 150' ' ' TYR . 11.9 mt -56.11 -31.74 63.56 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.838 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -82.64 -34.6 27.45 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.742 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . 0.579 ' O ' HG22 ' A' ' 160' ' ' VAL . 16.3 t80 -68.42 -34.08 75.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.671 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 157' ' ' MET . . . . . 0.776 ' HG2' HD21 ' A' ' 97' ' ' LEU . 0.2 OUTLIER -90.06 2.55 55.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.157 179.886 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.04 45.66 1.26 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.857 0.36 . . . . 0.0 110.972 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 104.26 76.03 1.07 Allowed Glycine 0 N--CA 1.453 -0.204 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.4 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . 0.579 HG22 ' O ' ' A' ' 156' ' ' PHE . 2.8 t . . . . . 0 C--N 1.328 -0.345 0 CA-C-O 120.821 0.343 . . . . 0.0 111.107 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.877 0.37 . . . . 0.0 110.802 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.65 -24.31 21.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.027 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -90.54 12.51 18.52 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.361 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 31.5 mt -65.19 -29.07 69.85 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.758 0.313 . . . . 0.0 110.891 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.401 ' CA ' ' CE1' ' A' ' 150' ' ' TYR . 1.0 OUTLIER -69.31 -48.3 61.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.725 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.57 -42.32 96.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.857 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.35 -30.11 70.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.917 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.432 ' CZ ' ' HA ' ' A' ' 149' ' ' ASP . 65.8 t80 -59.9 -40.63 89.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.935 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 11.9 ttm180 -58.59 -40.58 83.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.868 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 3.1 mtt -56.63 -49.12 75.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.796 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -61.72 -27.81 68.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.902 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.29 154.78 30.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.909 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.89 -46.94 3.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.946 0.403 . . . . 0.0 110.923 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 25.6 p30 -91.83 -19.55 22.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.077 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 67.11 62.61 0.47 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.906 0.384 . . . . 0.0 111.078 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -110.49 -26.34 9.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.105 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 125.05 0.87 8.14 Favored Glycine 0 CA--C 1.519 0.318 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.783 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.446 ' CD2' ' HB3' ' A' ' 149' ' ' ASP . 6.0 m-85 -150.29 154.02 37.15 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.711 0.291 . . . . 0.0 110.746 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.434 HG22 ' N ' ' A' ' 113' ' ' ASP . 6.0 mt -128.35 155.4 40.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.955 0.407 . . . . 0.0 111.11 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . 0.434 ' N ' HG22 ' A' ' 112' ' ' ILE . 6.1 t0 -134.64 179.07 6.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.853 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.68 -28.45 67.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.98 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -68.17 -60.98 2.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.838 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.65 ' HA ' HD12 ' A' ' 119' ' ' ILE . 9.0 mt-10 -61.26 -53.21 59.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.71 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.616 HD23 HG23 ' A' ' 133' ' ' ILE . 11.7 tp -49.21 -28.62 4.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.207 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 44.7 tttt -76.18 -29.64 57.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.9 179.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.65 HD12 ' HA ' ' A' ' 116' ' ' GLU . 22.4 mt -73.35 -51.14 26.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.203 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -56.71 -30.26 63.29 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.058 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 14.7 mt -67.37 -22.25 65.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.066 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 10.3 mm100 -61.32 -24.54 66.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.504 -0.317 . . . . 0.0 110.855 179.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -56.09 -47.44 78.03 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.961 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 16.6 p -62.55 174.88 0.88 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.59 179.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -114.03 21.48 15.63 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.594 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -107.76 124.77 50.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.876 0.369 . . . . 0.0 110.865 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 1.2 p -63.17 103.09 0.44 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.933 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.473 HG22 ' N ' ' A' ' 129' ' ' THR . 22.1 mm -95.05 159.03 2.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.142 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . 0.594 HG23 ' H ' ' A' ' 132' ' ' ASP . 9.0 t -117.75 165.95 13.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . 0.447 ' HA ' HD12 ' A' ' 133' ' ' ILE . 45.9 mt-10 -64.83 -30.66 71.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.905 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -70.97 -31.25 67.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.816 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . 0.594 ' H ' HG23 ' A' ' 129' ' ' THR . 2.5 m-20 -68.64 -40.49 80.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.905 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.616 HG23 HD23 ' A' ' 117' ' ' LEU . 4.1 mt -73.77 -28.77 24.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.112 -179.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.78 -41.58 86.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.853 0.359 . . . . 0.0 111.107 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.64 -28.62 64.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.079 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.408 HD22 HD21 ' A' ' 117' ' ' LEU . 0.2 OUTLIER -61.93 -52.32 64.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.838 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 1.9 ttm -71.89 -25.8 62.08 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.046 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 7.6 tttt -53.11 -69.47 0.11 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.224 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 23.9 p-10 -68.66 -24.96 64.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.326 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -76.98 -5.07 84.36 Favored Glycine 0 CA--C 1.52 0.383 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.662 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 63.1 t0 -92.83 130.23 38.5 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.798 0.333 . . . . 0.0 110.849 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 13.6 mmmt -122.53 -31.74 3.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.293 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 30.4 m120 -97.1 20.32 11.51 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.115 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 7.4 p-10 42.7 32.02 0.35 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.72 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 19.9 p-10 -95.66 -26.52 15.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.602 179.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 98.44 19.26 23.56 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.882 -0.675 . . . . 0.0 112.633 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 11.4 mtt180 -139.93 -178.59 5.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.824 0.345 . . . . 0.0 110.733 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 25.4 mt -136.24 139.21 45.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.337 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . 0.446 ' HB3' ' CD2' ' A' ' 111' ' ' TYR . 3.0 p30 -137.13 167.33 21.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.777 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 150' ' ' TYR . . . . . 0.401 ' CE1' ' CA ' ' A' ' 98' ' ' SER . 20.2 t80 -57.33 -27.92 62.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.373 -179.623 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.86 -60.28 2.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.806 0.336 . . . . 0.0 111.073 -179.774 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -77.12 -12.93 60.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.456 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 153' ' ' PHE . . . . . 0.423 ' CZ ' ' HG3' ' A' ' 157' ' ' MET . 17.9 t80 -73.27 -33.16 65.1 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.883 0.373 . . . . 0.0 110.787 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.409 ' HA ' HD13 ' A' ' 154' ' ' LEU . 0.9 OUTLIER -62.78 -29.28 70.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.982 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -86.67 -29.73 22.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . 0.682 ' O ' HG13 ' A' ' 160' ' ' VAL . 13.4 t80 -73.3 -41.82 63.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.845 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 157' ' ' MET . . . . . 0.423 ' HG3' ' CZ ' ' A' ' 153' ' ' PHE . 0.8 OUTLIER -81.14 -1.52 44.83 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.212 179.804 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 11.0 tttt -90.66 50.41 1.81 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.914 0.387 . . . . 0.0 110.67 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 104.31 89.99 2.14 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.3 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . 0.682 HG13 ' O ' ' A' ' 156' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-O 120.758 0.313 . . . . 0.0 111.066 -179.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.829 0.347 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -56.07 -28.96 59.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.885 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -91.01 17.79 7.52 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.403 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.543 HD22 ' CE2' ' A' ' 153' ' ' PHE . 13.4 mt -64.99 -18.94 65.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.637 -0.256 . . . . 0.0 111.17 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.1 p -73.11 -33.55 65.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.819 0.342 . . . . 0.0 110.993 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -59.09 -42.11 89.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.819 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.483 HD23 ' HG3' ' A' ' 103' ' ' MET . 11.3 mt -78.5 -17.32 56.41 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.175 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.435 ' CZ ' ' HA ' ' A' ' 149' ' ' ASP . 67.9 t80 -58.52 -43.97 89.37 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.812 0.339 . . . . 0.0 111.168 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.23 -31.01 69.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.837 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . 0.483 ' HG3' HD23 ' A' ' 100' ' ' LEU . 13.3 mmm -63.69 -20.63 65.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.228 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.531 ' HB3' HD13 ' A' ' 112' ' ' ILE . 0.4 OUTLIER -94.09 -21.95 18.8 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.157 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -79.63 146.95 32.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.016 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.796 ' CD ' HG21 ' A' ' 119' ' ' ILE . 0.1 OUTLIER -99.03 -37.95 9.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.953 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 38.0 p-10 -107.13 -8.89 16.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.333 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 64.5 66.29 0.61 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.886 0.374 . . . . 0.0 111.107 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -111.4 -29.42 7.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.971 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 125.19 -3.65 8.34 Favored Glycine 0 CA--C 1.519 0.303 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.794 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.442 ' CD2' ' HB3' ' A' ' 149' ' ' ASP . 6.2 m-85 -147.22 152.58 38.6 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.722 0.296 . . . . 0.0 110.822 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.531 HD13 ' HB3' ' A' ' 104' ' ' PHE . 2.6 mt -127.51 152.1 35.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.117 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 23.7 p-10 -137.59 -173.64 3.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.961 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 6.6 tp -57.95 -35.02 70.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.993 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.84 -56.89 10.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.837 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.34 -45.26 84.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.913 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.441 HD21 ' HB3' ' A' ' 136' ' ' LEU . 25.5 tp -55.08 -29.25 57.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.02 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.41 -28.72 64.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.838 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.796 HG21 ' CD ' ' A' ' 106' ' ' LYS . 28.0 mm -71.18 -25.46 25.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.235 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 5.4 tmm? -82.21 -32.5 29.79 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.063 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.741 HD12 HG13 ' A' ' 128' ' ' ILE . 3.4 mm? -73.4 -30.61 63.38 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.16 -179.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -69.57 -39.62 77.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.001 0.429 . . . . 0.0 110.524 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -52.03 -43.38 63.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.95 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.25 178.74 0.25 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.356 179.594 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -112.74 17.59 22.86 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.524 -0.846 . . . . 0.0 112.733 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -107.07 124.27 49.42 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.815 0.341 . . . . 0.0 110.865 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 81.5 p -65.21 104.14 0.88 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.292 -179.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.741 HG13 HD12 ' A' ' 121' ' ' LEU . 42.4 mm -105.89 158.0 6.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.828 179.624 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . 0.496 ' N ' HG22 ' A' ' 128' ' ' ILE . 0.7 OUTLIER -101.68 158.2 16.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.902 179.84 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.19 -30.23 67.3 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.81 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -76.55 -27.83 56.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.063 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.16 -40.91 74.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.882 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 15.9 mt -69.49 -21.12 24.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.287 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -59.05 -35.72 73.81 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.882 0.372 . . . . 0.0 110.956 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -82.63 -19.51 38.14 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.207 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.441 ' HB3' HD21 ' A' ' 117' ' ' LEU . 0.1 OUTLIER -59.69 -46.76 88.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.777 0.322 . . . . 0.0 110.981 -179.939 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.9 -23.7 55.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.31 -179.823 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 20.9 mttt -55.99 -67.82 0.26 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.209 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 24.3 p-10 -57.5 -21.2 36.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.628 -179.696 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . 0.433 ' HA2' ' CG ' ' A' ' 156' ' ' PHE . . . -80.22 -44.24 9.0 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.528 -0.844 . . . . 0.0 112.271 179.798 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -68.39 127.27 32.35 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-O 120.801 0.334 . . . . 0.0 110.977 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 3.9 mmmp? -103.31 -18.87 14.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.173 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 23.8 p30 -102.11 -21.24 14.46 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.82 0.343 . . . . 0.0 110.888 179.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 1.5 t30 75.7 56.97 0.06 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.278 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -108.44 -32.52 7.39 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.122 179.087 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 118.16 13.85 6.84 Favored Glycine 0 N--CA 1.451 -0.307 0 CA-C-N 115.768 -0.651 . . . . 0.0 112.836 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 19.8 mtt85 -144.51 -170.82 3.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.871 0.367 . . . . 0.0 110.817 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 33.4 mt -148.79 138.92 16.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.108 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . 0.442 ' HB3' ' CD2' ' A' ' 111' ' ' TYR . 51.1 p30 -134.22 170.71 15.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.814 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 41.2 t80 -59.89 -24.08 63.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.205 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -69.83 -63.22 1.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.916 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -70.55 -25.52 63.13 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.144 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 153' ' ' PHE . . . . . 0.543 ' CE2' HD22 ' A' ' 97' ' ' LEU . 19.8 t80 -62.37 -30.65 71.34 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.761 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.23 -28.33 69.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.917 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -87.8 -31.98 19.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.007 0.432 . . . . 0.0 110.766 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . 0.486 ' CE1' HG11 ' A' ' 160' ' ' VAL . 14.3 t80 -65.35 -26.46 68.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.022 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -97.31 14.38 26.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.27 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.65 35.14 0.96 Allowed 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 116.548 -0.297 . . . . 0.0 111.277 -179.654 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 104.24 80.97 1.46 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.75 179.7 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . 0.486 HG11 ' CE1' ' A' ' 156' ' ' PHE . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-O 120.746 0.307 . . . . 0.0 111.16 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.708 0.289 . . . . 0.0 110.816 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -57.62 -26.74 62.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.932 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -91.37 18.18 7.5 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.427 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 20.4 mt -76.09 -25.47 55.53 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.106 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -67.12 -36.23 81.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.016 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.98 -40.19 78.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 4.7 mt -67.31 -27.55 67.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.009 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.44 ' CZ ' ' HA ' ' A' ' 149' ' ' ASP . 75.9 t80 -58.31 -43.34 88.09 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.02 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 7.9 mtt85 -57.82 -37.54 74.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.945 0.402 . . . . 0.0 111.029 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 4.3 mmt -62.87 -18.79 63.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.18 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -102.98 -25.39 13.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.054 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.4 ' HA ' HG12 ' A' ' 112' ' ' ILE . 6.4 t0 -96.5 93.26 6.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.898 0.38 . . . . 0.0 111.057 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 45.0 mmtm -55.57 -46.1 77.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.943 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -70.2 -30.98 68.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.989 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 62.45 53.83 2.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.161 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -110.91 -19.86 12.65 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.18 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 125.09 -10.42 7.82 Favored Glycine 0 C--N 1.331 0.269 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.785 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.435 ' CD2' ' HB3' ' A' ' 149' ' ' ASP . 1.8 m-85 -145.89 150.8 36.79 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.737 0.304 . . . . 0.0 110.774 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.4 HG12 ' HA ' ' A' ' 105' ' ' ASP . 1.3 mp -127.56 154.93 38.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.01 179.754 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 18.6 p30 -136.4 -176.65 4.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.902 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.474 ' H ' HD12 ' A' ' 114' ' ' LEU . 3.7 mp -58.61 -28.24 65.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.09 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.17 -59.75 2.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.008 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.78 -54.88 32.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.564 HD21 HD22 ' A' ' 136' ' ' LEU . 4.3 tp -51.09 -27.53 8.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.251 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.91 -35.03 70.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.923 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 7.9 mt -68.76 -36.9 76.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.096 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 6.2 tmm? -60.38 -34.41 73.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.784 HD13 HG12 ' A' ' 133' ' ' ILE . 0.2 OUTLIER -73.25 -30.95 63.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.89 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 58.9 mm-40 -60.15 -26.82 66.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.828 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -55.67 -44.53 77.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.075 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 16.3 p -69.01 169.07 12.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.639 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -112.2 23.81 15.48 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.551 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -108.14 126.27 52.58 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.789 0.328 . . . . 0.0 110.773 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 62.5 p -58.57 109.97 0.9 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.051 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.558 HG21 HD22 ' A' ' 121' ' ' LEU . 17.4 mm -104.42 157.71 5.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.076 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . 0.447 ' N ' HG22 ' A' ' 128' ' ' ILE . 2.2 p -106.2 158.28 16.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.832 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . 0.639 ' HA ' HD12 ' A' ' 133' ' ' ILE . 2.0 mt-10 -59.66 -30.3 68.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -72.59 -31.58 65.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.95 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.36 -41.05 98.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.784 HG12 HD13 ' A' ' 121' ' ' LEU . 2.8 mt -68.93 -28.31 39.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.202 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -66.34 -41.63 89.32 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.978 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -72.4 -29.69 63.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.091 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.564 HD22 HD21 ' A' ' 117' ' ' LEU . 0.2 OUTLIER -59.32 -49.09 79.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.981 -179.933 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . 0.51 ' CG ' HD22 ' A' ' 117' ' ' LEU . 0.8 OUTLIER -77.91 -23.66 48.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.232 -179.941 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 4.8 tttt -55.6 -67.89 0.25 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.199 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 28.1 p-10 -60.51 -18.38 51.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.56 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -84.65 -42.63 7.21 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.461 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -78.93 133.98 36.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.883 0.373 . . . . 0.0 110.988 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 46.0 mmtt -119.96 -4.19 10.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.308 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -96.65 -7.2 34.79 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.64 0.257 . . . . 0.0 111.314 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 28.9 t30 67.31 26.22 8.58 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.705 0.288 . . . . 0.0 111.251 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -98.03 -21.88 16.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.812 179.614 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 92.5 27.7 14.48 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.842 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 5.5 mtt180 -142.48 179.64 6.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.787 0.327 . . . . 0.0 111.096 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . 0.571 HG23 ' HB2' ' A' ' 152' ' ' GLU . 44.4 mt -145.82 134.51 16.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.075 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . 0.44 ' HA ' ' CZ ' ' A' ' 101' ' ' PHE . 4.6 p30 -134.29 -171.46 2.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.79 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 150' ' ' TYR . . . . . 0.68 ' O ' HD13 ' A' ' 154' ' ' LEU . 23.5 t80 -54.75 -27.04 38.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.234 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -80.49 -47.21 14.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.938 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . 0.571 ' HB2' HG23 ' A' ' 148' ' ' ILE . 30.8 mm-40 -72.7 -17.33 61.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.208 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 153' ' ' PHE . . . . . 0.442 ' CE1' ' HG3' ' A' ' 157' ' ' MET . 1.5 t80 -86.21 -33.36 20.78 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 120.892 0.377 . . . . 0.0 110.827 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.68 HD13 ' O ' ' A' ' 150' ' ' TYR . 7.5 mp -75.84 -34.34 60.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.781 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -78.8 -41.3 30.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.675 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . 0.721 ' O ' HG22 ' A' ' 160' ' ' VAL . 37.5 t80 -68.72 -27.23 65.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.702 179.814 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 157' ' ' MET . . . . . 0.442 ' HG3' ' CE1' ' A' ' 153' ' ' PHE . 30.3 mmt -89.62 4.76 48.39 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.32 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 5.2 tttp -88.8 42.42 1.08 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.72 0.295 . . . . 0.0 111.271 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 103.98 75.49 1.05 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.453 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . 0.721 HG22 ' O ' ' A' ' 156' ' ' PHE . 2.4 t . . . . . 0 C--N 1.329 -0.287 0 CA-C-O 120.829 0.347 . . . . 0.0 111.025 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.918 0.389 . . . . 0.0 110.621 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -79.44 -9.7 59.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.846 179.487 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -86.17 -24.79 26.01 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.193 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.531 HD22 ' HG3' ' A' ' 157' ' ' MET . 96.0 mt -55.16 -23.55 22.09 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.333 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.408 ' HA ' ' CE1' ' A' ' 150' ' ' TYR . 44.6 p -68.64 -40.45 80.27 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.801 0.334 . . . . 0.0 111.029 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -70.16 -31.48 68.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.023 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.43 -29.95 67.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.068 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.43 ' CE1' ' HA ' ' A' ' 149' ' ' ASP . 74.8 t80 -58.31 -55.94 28.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.907 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -57.42 -31.59 66.03 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.772 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 5.9 mmt -63.87 -22.5 66.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.003 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.761 ' HB3' HD13 ' A' ' 112' ' ' ILE . 5.4 m-85 -92.85 -23.19 18.9 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.983 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.32 140.98 40.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.864 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.59 -38.21 10.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.835 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 7.6 p-10 -111.92 -13.33 13.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.236 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 67.05 69.46 0.39 Allowed 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.814 0.34 . . . . 0.0 111.066 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -111.63 -2.93 15.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.498 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 102.25 -9.91 56.38 Favored Glycine 0 CA--C 1.519 0.296 0 C-N-CA 120.532 -0.842 . . . . 0.0 112.79 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.43 ' CD2' ' HB3' ' A' ' 149' ' ' ASP . 58.1 m-85 -147.64 155.27 41.61 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.744 0.306 . . . . 0.0 110.79 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.761 HD13 ' HB3' ' A' ' 104' ' ' PHE . 12.1 mt -127.84 151.36 34.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.913 0.387 . . . . 0.0 111.226 179.773 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -132.96 -176.53 4.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.881 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.545 HD21 ' HA ' ' A' ' 134' ' ' GLU . 0.1 OUTLIER -58.92 -31.17 68.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 -179.921 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.96 -59.93 2.89 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.423 ' HA ' HD12 ' A' ' 119' ' ' ILE . 18.1 mp0 -59.73 -45.27 92.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.467 HD21 ' HB3' ' A' ' 136' ' ' LEU . 59.7 tp -58.62 -30.39 67.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.006 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.598 ' HG3' HD13 ' A' ' 133' ' ' ILE . 0.0 OUTLIER -62.95 -46.33 88.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 179.942 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.423 HD12 ' HA ' ' A' ' 116' ' ' GLU . 3.9 mt -69.02 -27.68 36.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.159 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 3.3 tmm? -63.69 -54.32 37.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.826 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.644 HD23 HD13 ' A' ' 128' ' ' ILE . 10.4 mp -63.94 -22.59 66.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.209 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -64.01 -24.47 67.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.76 0.314 . . . . 0.0 110.785 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -56.76 -47.0 81.1 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.999 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 30.2 p -58.74 174.88 0.3 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.572 179.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -114.44 24.16 11.6 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.565 -0.826 . . . . 0.0 112.498 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -96.18 -169.37 1.91 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.838 0.351 . . . . 0.0 110.911 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 1.8 p -119.98 102.76 8.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.899 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.644 HD13 HD23 ' A' ' 121' ' ' LEU . 4.7 mt -112.72 145.39 18.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.161 -179.8 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.85 160.32 14.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.813 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . 0.589 ' HA ' HD12 ' A' ' 133' ' ' ILE . 0.5 OUTLIER -62.26 -30.51 71.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.923 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -75.35 -31.15 60.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.85 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -64.86 -36.47 84.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.598 HD13 ' HG3' ' A' ' 118' ' ' LYS . 4.3 mt -73.05 -23.39 20.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.365 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . 0.545 ' HA ' HD21 ' A' ' 114' ' ' LEU . 0.3 OUTLIER -62.26 -47.66 83.39 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.975 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -66.65 -23.98 66.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.192 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.467 ' HB3' HD21 ' A' ' 117' ' ' LEU . 0.2 OUTLIER -61.06 -54.13 48.62 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.915 -179.891 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 9.1 ttm -73.66 -26.91 60.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.163 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 54.7 mttt -54.84 -67.89 0.23 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.26 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 29.1 p-10 -58.84 -20.06 47.18 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.465 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -83.58 -42.61 7.73 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.53 -0.843 . . . . 0.0 112.26 179.724 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 49.6 t0 -63.41 115.5 4.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.845 0.355 . . . . 0.0 110.901 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -108.51 -25.25 11.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.931 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -83.44 -17.9 40.51 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.96 179.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 71.1 31.46 2.47 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.144 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 45.0 p-10 -94.94 -28.58 15.1 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.332 179.343 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 111.9 16.13 9.46 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.991 -0.623 . . . . 0.0 112.921 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 2.9 ptt180 -149.25 -175.51 5.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.824 0.345 . . . . 0.0 110.998 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 44.0 mt -134.98 148.0 29.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.31 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . 0.43 ' HA ' ' CE1' ' A' ' 101' ' ' PHE . 2.5 p30 -140.64 168.22 20.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.678 179.703 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 150' ' ' TYR . . . . . 0.666 ' O ' HD23 ' A' ' 154' ' ' LEU . 28.4 t80 -60.39 -26.03 66.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.568 -179.561 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.7 -61.88 1.61 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.866 0.365 . . . . 0.0 110.992 -179.761 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -69.43 -26.55 64.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.212 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 25.0 t80 -57.94 -31.3 66.69 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.789 0.328 . . . . 0.0 110.879 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.666 HD23 ' O ' ' A' ' 150' ' ' TYR . 3.0 mm? -65.69 -27.77 68.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.037 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -80.53 -38.98 28.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.874 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . 0.761 ' O ' HG22 ' A' ' 160' ' ' VAL . 42.9 t80 -71.02 -11.22 60.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.167 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 157' ' ' MET . . . . . 0.531 ' HG3' HD22 ' A' ' 97' ' ' LEU . 4.4 mmt -103.86 5.8 36.08 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.603 -0.271 . . . . 0.0 111.422 179.802 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.59 42.9 1.12 Allowed 'General case' 0 CA--C 1.528 0.122 0 CA-C-O 120.826 0.346 . . . . 0.0 110.982 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 104.78 79.1 1.28 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.442 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . 0.761 HG22 ' O ' ' A' ' 156' ' ' PHE . 2.7 t . . . . . 0 C--N 1.329 -0.287 0 CA-C-O 120.883 0.373 . . . . 0.0 111.159 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.941 0.401 . . . . 0.0 110.774 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -69.07 -28.56 66.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.978 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -74.59 -25.2 59.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.057 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.467 HD22 ' HG3' ' A' ' 157' ' ' MET . 80.9 mt -52.87 -27.7 19.7 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.319 -179.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.1 p -77.75 -41.48 37.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.904 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.68 -35.22 67.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 4.7 mt -73.66 -20.82 60.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.171 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -61.81 -47.15 86.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.969 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.03 -30.96 69.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.897 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.11 -21.94 66.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.067 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -92.23 -25.98 18.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.004 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.03 153.59 39.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.921 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.466 ' HG2' HD13 ' A' ' 119' ' ' ILE . 0.1 OUTLIER -99.66 -41.95 7.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.924 179.922 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 13.7 p30 -104.4 -8.11 19.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.383 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 62.8 67.33 0.7 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.924 0.393 . . . . 0.0 111.112 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -111.37 -29.53 7.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.959 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 125.05 -0.47 8.3 Favored Glycine 0 CA--C 1.519 0.316 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.817 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.443 ' CD2' ' HB3' ' A' ' 149' ' ' ASP . 22.6 m-85 -147.32 153.79 40.14 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.773 0.321 . . . . 0.0 110.783 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 1.7 mt -127.67 149.79 32.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.957 0.408 . . . . 0.0 111.045 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 37.7 p30 -135.97 -175.23 3.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.917 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.428 HD11 ' HG3' ' A' ' 134' ' ' GLU . 0.2 OUTLIER -59.12 -29.59 67.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.918 179.879 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.71 -60.49 2.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.783 ' HA ' HD12 ' A' ' 119' ' ' ILE . 4.3 mt-10 -60.76 -48.47 81.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.803 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 15.4 tp -54.27 -29.58 47.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.029 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 1.6 tttt -62.62 -36.51 82.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.794 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.783 HD12 ' HA ' ' A' ' 116' ' ' GLU . 3.9 mt -71.32 -39.07 71.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.938 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 2.8 tmm? -60.66 -31.9 71.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.936 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.543 HD12 HG13 ' A' ' 128' ' ' ILE . 3.9 mm? -75.66 -28.55 58.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.924 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -58.4 -25.04 61.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.805 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -55.16 -43.58 74.37 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.954 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 26.7 p -61.23 158.93 13.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.671 179.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -77.29 -51.37 6.15 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.564 -0.826 . . . . 0.0 112.309 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -53.66 172.79 0.06 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.996 0.427 . . . . 0.0 111.289 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 43.6 p -103.51 126.24 50.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.022 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.543 HG13 HD12 ' A' ' 121' ' ' LEU . 21.2 mm -101.89 161.04 3.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.928 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . 0.654 HG23 ' H ' ' A' ' 132' ' ' ASP . 3.8 t -114.99 163.87 14.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.954 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.81 -30.33 70.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.098 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -66.3 -46.45 76.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.041 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . 0.654 ' H ' HG23 ' A' ' 129' ' ' THR . 3.3 m-20 -59.18 -48.39 81.8 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.994 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.469 HD12 ' O ' ' A' ' 129' ' ' THR . 4.3 mt -63.97 -25.36 37.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.253 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . 0.428 ' HG3' HD11 ' A' ' 114' ' ' LEU . 2.0 mt-10 -69.2 -35.68 76.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.07 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -82.73 -28.62 30.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.076 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 1.1 tp -56.63 -46.99 80.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.052 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 27.8 ttm -74.95 -18.54 60.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.281 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.25 -66.37 0.47 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.248 -179.737 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 27.1 p-10 -56.66 -21.09 24.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.664 -179.62 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -91.86 -25.89 21.2 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.568 -0.825 . . . . 0.0 112.489 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -77.95 93.39 4.42 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.82 0.343 . . . . 0.0 111.022 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 16.2 mmtt -91.47 -25.29 19.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.978 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -84.92 -18.72 33.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.105 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 7.5 t30 67.77 30.36 6.39 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.873 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 22.1 p-10 -101.94 14.76 31.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.181 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 65.98 21.66 69.85 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.698 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 46.1 mtt180 -157.06 159.68 38.18 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.895 0.379 . . . . 0.0 110.994 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 21.2 mt -117.93 144.7 25.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.14 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . 0.443 ' HB3' ' CD2' ' A' ' 111' ' ' TYR . 2.2 p30 -134.24 167.74 20.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.738 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 150' ' ' TYR . . . . . 0.461 ' O ' ' HG ' ' A' ' 154' ' ' LEU . 63.4 t80 -59.92 -26.43 65.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.37 -179.732 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.81 -62.05 1.54 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.811 0.339 . . . . 0.0 111.212 -179.686 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -69.34 -22.12 63.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.021 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 153' ' ' PHE . . . . . 0.454 ' CZ ' ' CG ' ' A' ' 157' ' ' MET . 19.4 t80 -66.54 -30.89 71.31 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.793 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' A' ' 150' ' ' TYR . 11.7 mt -57.75 -30.17 65.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.047 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -86.75 -28.38 23.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.999 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . 0.827 ' O ' HG22 ' A' ' 160' ' ' VAL . 17.9 t80 -76.45 -36.19 58.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.827 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 157' ' ' MET . . . . . 0.467 ' HG3' HD22 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -82.47 -2.07 52.22 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.367 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 5.9 tttt -89.6 49.96 1.83 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.821 0.344 . . . . 0.0 110.994 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 103.99 76.93 1.14 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.377 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . 0.827 HG22 ' O ' ' A' ' 156' ' ' PHE . 4.4 t . . . . . 0 C--N 1.329 -0.324 0 CA-C-O 120.847 0.356 . . . . 0.0 110.947 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.952 0.406 . . . . 0.0 110.583 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -60.44 -23.4 64.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.659 179.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.86 -14.92 60.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.276 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 55.4 mt -52.42 -24.04 7.11 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.565 -179.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.5 t -62.29 -46.12 90.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.855 0.359 . . . . 0.0 110.87 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -63.98 -31.98 73.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.82 -27.68 62.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.006 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.429 ' CZ ' ' HA ' ' A' ' 149' ' ' ASP . 47.6 t80 -59.97 -54.27 48.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.054 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 1.2 mtp85 -56.59 -35.11 67.86 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.806 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 18.0 mmm -59.75 -23.26 63.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.958 179.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.439 ' HB3' HD13 ' A' ' 112' ' ' ILE . 9.5 m-85 -94.11 -20.33 20.0 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.039 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -84.5 149.07 26.18 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.793 0.33 . . . . 0.0 110.888 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.445 ' HG3' HD12 ' A' ' 119' ' ' ILE . 1.4 mmtm -99.31 -33.81 10.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.873 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.402 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 12.2 p-10 -106.86 -18.32 13.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.191 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.402 ' HB3' ' O ' ' A' ' 107' ' ' ASN . . . 66.82 63.6 0.48 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.856 0.36 . . . . 0.0 111.049 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -108.7 -25.81 10.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.932 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 125.21 -8.14 8.0 Favored Glycine 0 CA--C 1.518 0.268 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.781 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.438 ' CD2' ' HB3' ' A' ' 149' ' ' ASP . 13.9 m-85 -143.21 145.96 33.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.831 0.348 . . . . 0.0 110.781 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.481 HG22 ' N ' ' A' ' 113' ' ' ASP . 4.6 mt -128.29 158.1 40.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.147 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . 0.481 ' N ' HG22 ' A' ' 112' ' ' ILE . 2.7 p30 -138.88 -176.87 4.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.848 -179.819 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 5.5 tt -62.01 -27.65 69.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.03 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -67.4 -59.26 3.54 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.88 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -62.86 -49.95 72.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.954 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.786 HD22 ' SD ' ' A' ' 137' ' ' MET . 22.3 tp -52.57 -24.76 8.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.359 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 9.7 tttp -76.23 -25.54 55.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.995 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.445 HD12 ' HG3' ' A' ' 106' ' ' LYS . 30.4 mt -76.26 -33.55 24.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.749 -179.488 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -82.59 -35.98 26.6 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 111.692 0.256 . . . . 0.0 111.692 -179.314 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.671 HD12 ' N ' ' A' ' 122' ' ' GLN . 4.6 pp -76.8 -33.15 58.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.543 0.211 . . . . 0.0 111.465 -179.51 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . 0.671 ' N ' HD12 ' A' ' 121' ' ' LEU . 3.9 pt20 -63.18 -41.04 99.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.072 0.463 . . . . 0.0 110.525 179.787 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.404 ' N ' ' HG3' ' A' ' 122' ' ' GLN . . . -48.5 -31.8 6.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.242 179.793 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 26.2 p -56.79 -176.71 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.57 179.652 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -114.32 17.97 18.59 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.667 -0.777 . . . . 0.0 112.64 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -101.56 -169.02 1.63 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.696 0.284 . . . . 0.0 110.791 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 68.2 p -119.76 108.96 15.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.817 0.342 . . . . 0.0 110.944 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.471 HG13 HD13 ' A' ' 121' ' ' LEU . 21.5 mm -104.71 141.13 20.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.039 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 67.8 p -105.05 154.72 19.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.938 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -58.94 -30.9 68.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.847 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -75.1 -32.88 61.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.897 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -67.54 -42.73 82.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.029 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.439 HD13 HD21 ' A' ' 121' ' ' LEU . 19.0 mt -66.29 -26.37 37.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.365 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -72.05 -31.18 65.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -80.56 -30.49 37.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.999 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.521 HD22 HD21 ' A' ' 117' ' ' LEU . 0.2 OUTLIER -59.2 -49.07 79.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.986 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . 0.786 ' SD ' HD22 ' A' ' 117' ' ' LEU . 45.8 mmm -75.4 -23.02 57.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.159 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 4.4 tptt -56.79 -67.06 0.34 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.785 0.326 . . . . 0.0 111.112 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 29.1 p-10 -59.8 -19.25 49.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.627 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -86.94 -37.9 8.23 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.469 -0.872 . . . . 0.0 112.294 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -67.55 97.27 0.58 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.857 0.361 . . . . 0.0 110.926 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 6.8 mmtm -81.92 -23.9 35.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.962 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 19.0 p-10 -104.45 -7.95 19.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.156 179.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 10.5 m120 62.46 39.11 12.19 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-O 120.758 0.313 . . . . 0.0 111.162 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 50.0 p-10 -97.07 13.92 27.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.231 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 68.66 23.6 75.47 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.778 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 8.2 mtm-85 -157.19 -171.11 3.49 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.801 0.334 . . . . 0.0 111.039 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 47.1 mt -148.68 141.81 18.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.857 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . 0.438 ' HB3' ' CD2' ' A' ' 111' ' ' TYR . 4.5 p30 -134.44 169.91 16.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.005 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 150' ' ' TYR . . . . . 0.693 ' O ' HD23 ' A' ' 154' ' ' LEU . 48.7 t80 -60.03 -24.29 64.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.298 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.62 -61.08 1.97 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.93 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -74.08 -22.81 59.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.182 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 27.8 t80 -63.51 -35.09 79.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.814 0.34 . . . . 0.0 110.93 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.693 HD23 ' O ' ' A' ' 150' ' ' TYR . 2.9 mm? -64.54 -24.73 67.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.109 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -87.92 -36.09 17.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.879 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . 0.439 ' CD1' HG11 ' A' ' 160' ' ' VAL . 14.5 t80 -58.99 -34.95 72.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.8 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.44 15.63 17.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.092 179.721 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 8.0 tttp -92.03 34.25 1.02 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.269 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 100.21 80.46 1.52 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.563 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . 0.439 HG11 ' CD1' ' A' ' 156' ' ' PHE . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.328 0 CA-C-O 120.834 0.35 . . . . 0.0 111.192 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.842 0.353 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -60.33 -30.06 69.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.058 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -91.07 20.63 4.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.475 -179.814 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 14.3 mt -75.68 -30.7 59.47 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.811 0.339 . . . . 0.0 110.9 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 42.6 t -60.5 -31.96 70.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.0 -35.78 72.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.949 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' A' ' 100' ' ' LEU . 14.7 mt -67.36 -29.12 68.58 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.945 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -58.65 -50.78 72.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.964 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 25.1 mtt180 -59.44 -31.5 69.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.949 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -67.27 -20.5 65.65 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.067 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.524 ' HB3' HD13 ' A' ' 112' ' ' ILE . 6.6 m-85 -91.28 -27.87 18.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.721 0.296 . . . . 0.0 110.972 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.46 152.3 39.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.877 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 2.8 tptt -95.92 -40.05 9.49 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.013 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 12.2 p-10 -120.15 3.14 10.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.554 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 58.07 73.67 0.46 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.911 0.386 . . . . 0.0 111.1 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -111.7 -12.15 13.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.346 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 108.83 -8.82 34.17 Favored Glycine 0 C--N 1.332 0.324 0 C-N-CA 120.615 -0.802 . . . . 0.0 112.726 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.427 ' CD2' ' HB3' ' A' ' 149' ' ' ASP . 19.4 m-85 -151.09 156.51 41.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.798 0.332 . . . . 0.0 110.593 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.524 HD13 ' HB3' ' A' ' 104' ' ' PHE . 15.9 mt -128.12 155.81 39.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.188 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . 0.434 ' N ' HG22 ' A' ' 112' ' ' ILE . 2.5 t0 -139.05 -169.15 2.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.971 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.428 HD13 ' HA ' ' A' ' 114' ' ' LEU . 4.0 mm? -64.63 -38.43 90.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.11 -179.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -61.24 -53.1 61.18 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.991 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -64.95 -55.79 17.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.915 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.63 HD22 ' HG2' ' A' ' 137' ' ' MET . 27.2 tp -51.64 -27.9 12.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.254 -179.826 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 16.6 tttm -72.22 -35.16 68.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.943 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 19.5 mt -74.93 -32.12 26.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.15 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 6.6 tmm? -67.67 -39.79 84.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.99 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.403 HD13 HG23 ' A' ' 133' ' ' ILE . 0.9 OUTLIER -71.84 -19.92 61.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.229 -179.877 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -65.3 -25.77 67.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.699 0.285 . . . . 0.0 110.828 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -56.26 -46.08 79.82 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.076 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 16.0 p -56.61 175.13 0.12 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.776 179.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -114.15 21.36 15.5 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.627 -0.797 . . . . 0.0 112.574 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -108.07 128.85 55.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.819 0.343 . . . . 0.0 110.754 -179.771 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 49.3 p -63.78 98.54 0.2 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.082 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.512 HG22 ' N ' ' A' ' 129' ' ' THR . 27.9 mm -99.08 160.23 3.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.87 179.814 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . 0.512 ' N ' HG22 ' A' ' 128' ' ' ILE . 0.7 OUTLIER -109.33 155.38 21.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.851 179.87 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . 0.469 ' HA ' HD12 ' A' ' 133' ' ' ILE . 2.2 pt-20 -59.17 -29.81 67.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.909 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -72.46 -31.47 65.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.928 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.81 -46.79 74.11 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.967 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.469 HD12 ' HA ' ' A' ' 130' ' ' GLU . 5.0 mt -62.84 -19.36 23.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.438 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -72.14 -30.21 64.8 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.799 0.333 . . . . 0.0 110.983 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -65.31 -37.37 86.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.846 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 1.3 mt -59.65 -49.22 78.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.826 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . 0.63 ' HG2' HD22 ' A' ' 117' ' ' LEU . 0.1 OUTLIER -67.31 -28.02 67.65 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.966 -179.941 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -58.0 -71.46 0.11 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.091 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . 0.404 ' OD1' ' N ' ' A' ' 140' ' ' GLY . 30.1 p-10 -60.1 -22.12 62.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.427 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . 0.404 ' N ' ' OD1' ' A' ' 139' ' ' ASP . . . -78.23 -24.9 62.63 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.386 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 29.8 t0 -87.14 132.4 33.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.788 0.328 . . . . 0.0 110.896 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 3.1 mmtm -109.11 -26.14 10.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.024 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 20.1 p-10 -106.9 1.66 24.78 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.286 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 3.2 t30 61.85 20.73 11.7 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.284 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 20.9 p-10 -63.71 -39.61 94.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.991 0.424 . . . . 0.0 110.279 179.428 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 114.23 19.12 6.41 Favored Glycine 0 CA--C 1.518 0.243 0 C-N-CA 120.856 -0.687 . . . . 0.0 112.576 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 9.3 mtt-85 -154.23 172.47 17.57 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.811 0.338 . . . . 0.0 110.792 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 27.8 mm -126.55 141.13 46.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.134 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . 0.427 ' HB3' ' CD2' ' A' ' 111' ' ' TYR . 2.1 p30 -134.4 -176.13 4.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.021 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 150' ' ' TYR . . . . . 0.494 ' O ' HD23 ' A' ' 154' ' ' LEU . 62.3 t80 -66.02 -29.7 70.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.291 -179.654 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -77.94 -44.94 25.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.812 0.339 . . . . 0.0 111.001 -179.841 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -76.57 -12.98 60.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.444 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -81.69 -47.13 13.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.77 0.319 . . . . 0.0 111.054 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.494 HD23 ' O ' ' A' ' 150' ' ' TYR . 3.6 mm? -55.29 -27.38 46.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.073 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -83.98 -31.26 25.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.013 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . 0.743 ' CE1' HG11 ' A' ' 160' ' ' VAL . 9.4 t80 -68.61 -35.81 77.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.109 -179.808 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.23 7.59 27.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.208 179.773 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 32.8 tttm -89.94 41.35 1.04 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.729 0.3 . . . . 0.0 111.243 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 104.81 87.31 1.99 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.78 179.731 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . 0.743 HG11 ' CE1' ' A' ' 156' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.274 0 CA-C-O 120.908 0.385 . . . . 0.0 111.04 179.801 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.49 ' HA ' HD12 ' A' ' 97' ' ' LEU . 9.7 mt-10 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.884 0.374 . . . . 0.0 110.934 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -77.56 -13.28 59.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.948 179.663 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -84.41 -26.25 28.45 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.102 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.49 HD12 ' HA ' ' A' ' 94' ' ' GLU . 10.3 mt -67.72 -12.51 60.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.669 -179.674 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 96.8 p -71.46 -39.76 70.75 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.801 0.334 . . . . 0.0 111.002 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -75.66 -31.03 59.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.964 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 3.4 mt -68.83 -28.42 66.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.992 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.434 ' CZ ' ' HA ' ' A' ' 149' ' ' ASP . 77.2 t80 -59.83 -56.6 19.81 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.034 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.76 -31.42 64.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.859 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 65.4 mmm -64.5 -21.39 66.66 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.097 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -96.71 -24.58 15.89 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.97 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -79.4 153.06 29.99 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.996 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 5.2 mmtt -115.17 -50.91 2.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.846 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 30.6 m120 -75.05 -22.63 58.27 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.012 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 66.41 49.4 1.41 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.792 0.33 . . . . 0.0 111.024 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -101.14 -30.09 11.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.958 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 123.3 3.55 8.7 Favored Glycine 0 CA--C 1.519 0.303 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.918 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 26.6 m-85 -144.9 150.18 36.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.767 0.317 . . . . 0.0 110.819 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.455 HG22 ' N ' ' A' ' 113' ' ' ASP . 17.2 mt -128.83 156.25 41.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.99 0.424 . . . . 0.0 111.19 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . 0.455 ' N ' HG22 ' A' ' 112' ' ' ILE . 24.5 p-10 -147.02 -177.01 5.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.966 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.635 HD11 ' HA ' ' A' ' 134' ' ' GLU . 0.1 OUTLIER -60.1 -35.41 75.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.84 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -60.35 -52.04 66.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.845 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.757 ' HA ' HD12 ' A' ' 119' ' ' ILE . 1.9 tt0 -72.96 -45.48 57.77 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.145 -179.659 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.737 HD22 ' SD ' ' A' ' 137' ' ' MET . 11.4 tp -54.77 -42.07 71.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.504 -179.487 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.34 -26.18 68.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.318 -179.572 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.757 HD12 ' HA ' ' A' ' 116' ' ' GLU . 25.6 mt -74.66 -53.34 16.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.734 0.302 . . . . 0.0 111.138 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 7.6 ptm -57.66 -30.99 65.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.995 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.641 HD23 HD13 ' A' ' 128' ' ' ILE . 4.8 mp -68.2 -30.24 69.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.738 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -63.25 -23.95 67.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.728 179.636 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -57.18 -43.84 83.01 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.958 179.694 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 48.5 p -65.0 178.9 0.75 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.44 179.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -114.5 25.27 10.52 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.447 179.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -96.45 -174.46 3.05 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.851 0.358 . . . . 0.0 110.982 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 31.0 p -119.94 100.54 7.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.834 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.641 HD13 HD23 ' A' ' 121' ' ' LEU . 18.6 mt -112.85 147.68 16.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.155 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 1.8 t -112.8 163.87 14.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.775 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.68 -51.94 67.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.141 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.88 -26.95 27.36 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.179 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.94 -50.53 22.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.789 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.701 HG23 HD23 ' A' ' 117' ' ' LEU . 7.1 mt -62.02 -18.43 19.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.357 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . 0.635 ' HA ' HD11 ' A' ' 114' ' ' LEU . 17.9 mt-10 -63.14 -53.62 50.6 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.853 0.359 . . . . 0.0 110.967 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -64.67 -22.06 66.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.251 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.413 HD12 ' HA ' ' A' ' 133' ' ' ILE . 5.4 mt -63.16 -56.55 15.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.921 0.391 . . . . 0.0 110.888 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . 0.737 ' SD ' HD22 ' A' ' 117' ' ' LEU . 37.0 mmm -74.46 -21.75 59.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.086 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 17.7 mttt -46.93 -61.39 1.89 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.497 -179.733 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . 0.44 ' OD2' ' CE1' ' A' ' 156' ' ' PHE . 0.0 OUTLIER -62.22 -37.26 84.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.78 0.324 . . . . 0.0 110.36 -179.777 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . 0.467 ' CA ' ' CD2' ' A' ' 156' ' ' PHE . . . -66.11 -26.73 72.51 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.541 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 52.6 t0 -73.31 107.9 5.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.9 0.381 . . . . 0.0 110.982 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 13.7 mmtp -106.27 -31.8 8.47 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.745 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 13.6 p-10 -91.59 -1.44 57.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.222 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 61.52 28.01 17.39 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.316 179.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 42.3 p-10 -89.92 -27.39 19.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.944 0.402 . . . . 0.0 110.774 179.659 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 98.22 28.31 8.2 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.554 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . 0.657 ' O ' HD13 ' A' ' 148' ' ' ILE . 57.3 mtt180 -148.17 -176.48 5.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.788 0.327 . . . . 0.0 111.025 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . 0.657 HD13 ' O ' ' A' ' 147' ' ' ARG . 30.7 mm -144.86 142.36 23.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.991 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . 0.434 ' HA ' ' CZ ' ' A' ' 101' ' ' PHE . 21.9 p30 -134.46 -175.71 3.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.847 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 150' ' ' TYR . . . . . 0.466 ' O ' HD23 ' A' ' 154' ' ' LEU . 67.3 t80 -57.78 -24.34 56.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.233 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 46.7 m-20 -81.24 -45.76 15.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.931 0.396 . . . . 0.0 110.872 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . 0.57 ' HB2' HG23 ' A' ' 148' ' ' ILE . 4.7 mm-40 -71.21 -28.5 64.25 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.048 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -72.39 -39.04 68.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.886 0.374 . . . . 0.0 110.958 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.466 HD23 ' O ' ' A' ' 150' ' ' TYR . 1.3 mm? -58.78 -29.49 66.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.946 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -88.74 -33.11 17.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.932 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . 0.467 ' CD2' ' CA ' ' A' ' 140' ' ' GLY . 1.0 OUTLIER -59.38 -40.5 86.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.831 -179.895 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.12 13.03 20.13 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.09 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 6.4 ttpp -92.23 36.05 0.99 Allowed 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.247 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 99.08 79.17 1.44 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.655 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-O 120.771 0.32 . . . . 0.0 111.075 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.945 0.402 . . . . 0.0 110.62 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -63.52 -21.74 66.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.708 179.547 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -77.31 -18.65 57.32 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.188 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.584 HD22 ' CE2' ' A' ' 153' ' ' PHE . 61.4 mt -55.73 -21.47 18.88 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.627 -179.679 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.8 t -62.3 -45.08 94.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.836 0.35 . . . . 0.0 110.845 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -63.27 -45.27 92.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.966 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.77 -26.06 63.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.203 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.435 ' CZ ' ' HA ' ' A' ' 149' ' ' ASP . 53.8 t80 -57.88 -53.33 59.44 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.064 -179.829 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -56.93 -34.62 68.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.961 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 3.9 mmt -61.54 -50.77 71.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.791 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.649 ' HB3' HD13 ' A' ' 112' ' ' ILE . 22.5 m-85 -62.98 -25.27 68.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.095 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -80.51 151.26 29.3 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.921 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.597 ' HD2' HG21 ' A' ' 119' ' ' ILE . 0.0 OUTLIER -113.06 -44.57 3.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.88 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.415 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 39.0 p30 -89.64 -19.21 25.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.193 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.415 ' HB3' ' O ' ' A' ' 107' ' ' ASN . . . 67.64 40.54 2.5 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.043 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 34.4 p-10 -86.32 -15.49 40.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.263 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 112.35 -2.44 26.59 Favored Glycine 0 CA--C 1.518 0.231 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.797 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -150.18 160.74 43.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.8 0.333 . . . . 0.0 110.898 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.764 HG23 ' HB3' ' A' ' 116' ' ' GLU . 13.6 mt -126.96 145.88 33.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.656 179.775 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -131.7 -177.52 4.46 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.971 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.64 HD22 ' HG3' ' A' ' 137' ' ' MET . 3.7 mm? -53.02 -34.29 55.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.147 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.36 -56.0 8.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.926 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.764 ' HB3' HG23 ' A' ' 112' ' ' ILE . 0.4 OUTLIER -63.31 -45.73 89.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 -179.893 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.441 HD21 ' HB3' ' A' ' 136' ' ' LEU . 16.6 tp -55.26 -39.48 69.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.161 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.25 -26.98 66.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.98 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.597 HG21 ' HD2' ' A' ' 106' ' ' LYS . 29.0 mm -66.6 -38.17 81.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.996 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 8.2 tmm? -70.0 -41.17 74.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.945 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.818 HD13 HD12 ' A' ' 133' ' ' ILE . 0.5 OUTLIER -69.85 -31.29 69.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.986 -179.943 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 5.7 mm-40 -65.05 -27.14 68.59 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.7 179.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -57.06 -43.95 82.53 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.03 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 57.3 p -61.42 174.54 0.71 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.624 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -114.19 27.11 9.26 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.472 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -99.2 -168.97 1.69 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.846 0.355 . . . . 0.0 110.827 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 17.6 p -119.43 109.3 15.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.663 HG21 ' CD1' ' A' ' 133' ' ' ILE . 3.6 mp -112.22 141.77 26.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.191 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 15.9 p -97.62 161.98 13.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.894 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -59.73 -33.95 72.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.946 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -73.11 -31.04 64.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.836 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.53 -40.52 93.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.871 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.818 HD12 HD13 ' A' ' 121' ' ' LEU . 25.6 mm -67.3 -24.25 31.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.37 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . 0.475 ' HA ' HD11 ' A' ' 114' ' ' LEU . 1.2 mt-10 -76.04 -30.22 58.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.035 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -67.93 -26.73 66.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.167 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.441 ' HB3' HD21 ' A' ' 117' ' ' LEU . 5.4 mt -68.13 -60.8 2.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.966 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . 0.64 ' HG3' HD22 ' A' ' 114' ' ' LEU . 2.8 mmt -60.9 -28.0 68.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.023 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.62 -69.81 0.12 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.203 -179.795 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 29.3 p-10 -69.53 -20.84 63.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.604 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -73.17 -48.56 19.18 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.587 -0.816 . . . . 0.0 112.377 179.754 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -68.87 147.98 50.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.872 0.368 . . . . 0.0 111.032 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 25.5 mmtt -115.48 -13.41 11.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.403 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -113.86 9.94 17.64 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 116.693 -0.231 . . . . 0.0 111.385 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 55.56 26.9 9.63 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.73 0.3 . . . . 0.0 111.162 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -82.73 -30.2 29.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.801 179.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 99.84 27.5 7.88 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.748 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . 0.483 ' O ' HD13 ' A' ' 148' ' ' ILE . 3.9 mtt180 -144.08 179.01 7.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.806 0.336 . . . . 0.0 110.957 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . 0.483 HD13 ' O ' ' A' ' 147' ' ' ARG . 37.9 mm -146.09 144.21 20.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.907 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . 0.435 ' HA ' ' CZ ' ' A' ' 101' ' ' PHE . 3.1 p30 -138.01 -179.09 5.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 28.0 t80 -58.69 -26.58 64.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.092 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.49 -50.36 11.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.623 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -68.48 -27.4 66.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.954 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 153' ' ' PHE . . . . . 0.584 ' CE2' HD22 ' A' ' 97' ' ' LEU . 12.6 t80 -71.24 -47.31 57.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.924 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.16 -31.78 69.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.851 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -81.51 -42.9 19.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.779 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . 0.804 ' O ' HG22 ' A' ' 160' ' ' VAL . 29.2 t80 -68.93 -29.61 67.9 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.917 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 157' ' ' MET . . . . . 0.433 ' HG3' ' CE1' ' A' ' 153' ' ' PHE . 10.7 mmt -89.71 3.87 51.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.319 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 3.4 tttp -91.05 45.11 1.23 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.852 0.358 . . . . 0.0 111.01 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 103.86 71.02 0.84 Allowed Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.34 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . 0.804 HG22 ' O ' ' A' ' 156' ' ' PHE . 5.3 t . . . . . 0 C--N 1.328 -0.335 0 CA-C-O 120.82 0.343 . . . . 0.0 111.002 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.435 ' HB3' HD12 ' A' ' 97' ' ' LEU . 3.0 mm-40 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.752 0.31 . . . . 0.0 110.921 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -58.57 -27.74 64.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.074 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -87.71 -0.8 57.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.645 -179.815 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.435 HD12 ' HB3' ' A' ' 94' ' ' GLU . 26.0 mt -58.01 -26.15 62.03 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.722 0.296 . . . . 0.0 111.215 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 21.7 p -57.2 -30.12 64.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.837 0.351 . . . . 0.0 111.159 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -73.12 -34.74 66.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.022 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.422 ' O ' ' HG3' ' A' ' 103' ' ' MET . 10.0 mt -69.47 -22.78 63.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.139 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -73.8 -42.35 61.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.403 -179.407 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.92 -53.0 63.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.881 0.372 . . . . 0.0 111.202 -179.489 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . 0.422 ' HG3' ' O ' ' A' ' 100' ' ' LEU . 0.0 OUTLIER -56.98 -43.58 81.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 -179.9 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -62.77 -32.82 74.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.401 ' HB2' HD11 ' A' ' 112' ' ' ILE . 24.3 t0 -85.12 93.08 8.55 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.78 179.791 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.516 ' HD3' HG21 ' A' ' 119' ' ' ILE . 6.7 tptt -54.76 -47.05 74.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.942 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -74.39 -29.94 61.74 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 60.45 51.6 5.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.152 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -111.7 4.28 18.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.388 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 103.37 -15.58 53.74 Favored Glycine 0 C--N 1.332 0.351 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.757 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.42 ' CD2' ' HB3' ' A' ' 149' ' ' ASP . 13.3 m-85 -142.21 149.19 39.33 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.749 0.309 . . . . 0.0 110.838 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.404 HG22 ' N ' ' A' ' 113' ' ' ASP . 25.7 mt -127.84 154.23 38.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.109 179.785 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . 0.404 ' N ' HG22 ' A' ' 112' ' ' ILE . 13.4 p-10 -135.45 -175.52 3.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.024 -179.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 1.8 tp -59.24 -34.48 72.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.103 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.39 -53.85 51.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.81 -46.68 68.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.754 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 18.8 tp -55.72 -30.35 61.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.021 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.487 ' HG2' HD13 ' A' ' 133' ' ' ILE . 0.0 OUTLIER -61.7 -30.73 70.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.949 179.931 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.516 HG21 ' HD3' ' A' ' 106' ' ' LYS . 20.7 mt -74.01 -36.59 45.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.121 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 3.6 tmm? -61.73 -39.05 90.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.873 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.415 HD13 ' HA ' ' A' ' 121' ' ' LEU . 4.5 mm? -72.65 -29.47 63.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.05 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 10.3 mm-40 -61.16 -25.4 66.98 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.894 179.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -56.69 -46.31 81.25 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.102 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 16.1 p -65.24 175.28 1.71 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.627 179.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -114.04 27.51 9.06 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.413 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -101.15 -173.71 2.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.749 0.309 . . . . 0.0 110.837 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 32.9 p -119.64 108.33 14.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.853 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.405 HD13 ' HB3' ' A' ' 121' ' ' LEU . 3.1 mp -112.41 143.19 22.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.094 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 63.9 p -90.98 155.94 18.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.935 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -66.53 -30.25 70.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.805 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.62 -31.86 60.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.95 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.52 -34.43 75.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.917 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.515 ' HA ' HD12 ' A' ' 136' ' ' LEU . 18.5 mt -72.09 -20.49 20.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.251 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -67.93 -28.5 67.54 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.92 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -73.64 -26.29 60.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.054 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.515 HD12 ' HA ' ' A' ' 133' ' ' ILE . 0.9 OUTLIER -60.48 -46.48 89.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.853 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.67 -28.68 64.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.023 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -53.76 -66.9 0.31 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.151 -179.762 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . 0.416 ' OD1' ' N ' ' A' ' 140' ' ' GLY . 17.0 p-10 -68.17 -34.24 75.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.337 -179.806 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . 0.428 ' HA2' ' CG ' ' A' ' 156' ' ' PHE . . . -66.81 -36.75 91.62 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.619 -0.801 . . . . 0.0 112.173 179.697 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 55.7 t0 -73.7 130.52 40.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.957 0.408 . . . . 0.0 110.88 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . 0.4 ' HD2' ' N ' ' A' ' 142' ' ' LYS . 0.0 OUTLIER -111.64 -24.67 9.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.081 -179.825 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 23.1 p-10 -105.82 5.53 30.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.265 179.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 19.2 m-20 58.49 29.2 18.01 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.731 0.3 . . . . 0.0 111.108 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 37.7 p-10 -84.8 -0.35 53.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.408 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 72.81 24.12 76.64 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.569 -0.824 . . . . 0.0 112.693 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 15.9 mtt180 -152.9 -169.06 3.22 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.749 0.309 . . . . 0.0 110.85 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . 0.42 HG23 ' OE2' ' A' ' 152' ' ' GLU . 33.1 mt -148.26 138.25 16.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.245 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . 0.42 ' HB3' ' CD2' ' A' ' 111' ' ' TYR . 9.0 p-10 -134.06 -177.05 4.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.787 179.779 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 66.3 t80 -64.46 -27.09 68.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.58 -179.486 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -67.21 -61.46 1.91 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.786 0.327 . . . . 0.0 110.986 -179.647 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . 0.42 ' OE2' HG23 ' A' ' 148' ' ' ILE . 7.1 pt-20 -76.46 -6.64 52.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.549 -179.788 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 153' ' ' PHE . . . . . 0.429 ' CE2' ' HB3' ' A' ' 97' ' ' LEU . 16.9 t80 -76.33 -48.52 19.71 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-O 120.786 0.327 . . . . 0.0 110.498 179.703 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.25 -28.99 67.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -83.97 -37.55 22.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.799 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . 0.678 ' O ' HG13 ' A' ' 160' ' ' VAL . 12.5 t80 -66.83 -36.85 83.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.763 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.24 6.72 31.81 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.103 179.721 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -91.02 43.31 1.14 Allowed 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.824 0.345 . . . . 0.0 111.094 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 105.0 87.73 2.01 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.671 179.693 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . 0.678 HG13 ' O ' ' A' ' 156' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.335 0 CA-C-O 120.812 0.339 . . . . 0.0 111.067 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.633 ' HA ' HD12 ' A' ' 97' ' ' LEU . 3.9 mt-10 . . . . . 0 CA--C 1.529 0.162 0 CA-C-O 120.828 0.347 . . . . 0.0 110.807 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.14 -29.09 65.92 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.174 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.58 -19.08 50.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.302 -179.832 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.633 HD12 ' HA ' ' A' ' 94' ' ' GLU . 10.9 mt -52.51 -26.71 13.79 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.811 0.339 . . . . 0.0 111.218 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.4 t -71.12 -39.37 72.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.922 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 57.2 m-20 -60.46 -45.88 92.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.903 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.4 -24.75 67.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.064 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.445 ' CE2' ' HA ' ' A' ' 149' ' ' ASP . 55.1 t80 -58.62 -54.26 49.01 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.852 0.358 . . . . 0.0 111.198 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.78 -33.0 66.2 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.892 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 87.1 mtp -62.64 -20.75 65.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.95 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.583 ' HB3' HD13 ' A' ' 112' ' ' ILE . 8.5 m-85 -89.87 -22.11 22.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.1 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -79.21 149.86 31.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.842 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.54 -36.82 8.65 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.92 -179.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 9.2 p-10 -120.0 6.31 10.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.56 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 56.1 75.34 0.34 Allowed 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.797 0.332 . . . . 0.0 111.176 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 16.6 p-10 -111.85 -19.53 12.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.237 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 112.17 -7.61 27.01 Favored Glycine 0 CA--C 1.519 0.299 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.708 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.427 ' CD2' ' HB3' ' A' ' 149' ' ' ASP . 19.5 m-85 -149.32 158.86 44.53 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.731 0.301 . . . . 0.0 110.548 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.583 HD13 ' HB3' ' A' ' 104' ' ' PHE . 4.1 mt -127.06 146.98 32.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.98 0.419 . . . . 0.0 111.081 179.776 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -136.29 -177.41 4.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.981 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.608 HD21 ' HA ' ' A' ' 134' ' ' GLU . 1.5 mt -58.28 -30.92 66.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.963 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.64 -55.72 21.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.001 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -69.79 -46.38 65.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.865 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.645 HD23 ' CG2' ' A' ' 133' ' ' ILE . 11.7 tp -52.75 -28.53 22.62 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.158 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 5.3 tttt -75.98 -30.25 58.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.841 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 44.9 mt -69.64 -42.82 80.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.135 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 5.4 ptm -68.84 -31.15 69.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.862 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.666 HD12 HG12 ' A' ' 128' ' ' ILE . 0.4 OUTLIER -65.03 -30.0 70.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.796 179.9 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 10.0 mm100 -56.76 -23.43 42.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.759 179.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -55.55 -41.91 73.91 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.025 179.697 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . 0.503 ' OG1' HD11 ' A' ' 128' ' ' ILE . 29.8 p -59.4 158.46 9.43 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.682 179.716 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -78.39 -51.54 5.6 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.555 -0.831 . . . . 0.0 112.302 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.79 -179.67 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.868 0.366 . . . . 0.0 111.228 -179.792 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 81.6 p -111.12 124.62 52.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.95 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.666 HG12 HD12 ' A' ' 121' ' ' LEU . 3.5 mp -97.22 161.11 2.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.001 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . 0.5 ' N ' HG22 ' A' ' 128' ' ' ILE . 4.3 m -107.13 158.45 17.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.851 179.788 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.71 -29.42 68.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.838 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -78.34 -29.1 47.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.998 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -70.57 -33.1 70.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.998 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.645 ' CG2' HD23 ' A' ' 117' ' ' LEU . 21.7 mt -76.64 -14.82 14.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.478 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . 0.608 ' HA ' HD21 ' A' ' 114' ' ' LEU . 0.6 OUTLIER -67.54 -56.19 10.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.904 0.383 . . . . 0.0 111.055 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -57.63 -22.2 44.01 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.273 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.437 ' HB3' HD21 ' A' ' 117' ' ' LEU . 0.2 OUTLIER -58.62 -50.3 74.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.845 0.355 . . . . 0.0 111.047 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.38 -16.52 60.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.372 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 1.4 tmtt? -56.04 -73.08 0.06 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.799 0.333 . . . . 0.0 111.195 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 25.7 p-10 -57.29 -22.82 44.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.539 -179.669 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -85.75 -22.7 49.06 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.612 -0.804 . . . . 0.0 112.624 179.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -84.23 132.44 34.65 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.82 0.343 . . . . 0.0 110.988 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -116.38 -20.22 9.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.35 -179.844 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 20.3 p-10 -107.15 1.55 24.2 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-O 120.691 0.282 . . . . 0.0 111.443 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 18.0 m-20 61.37 28.92 18.26 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.736 0.303 . . . . 0.0 111.138 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 40.0 p-10 -85.94 -30.59 22.68 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.039 0.447 . . . . 0.0 110.555 179.692 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 104.01 20.66 10.3 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.566 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 17.3 mtt85 -142.83 -174.22 4.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.931 0.396 . . . . 0.0 110.656 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 39.5 mt -145.2 138.44 21.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.055 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . 0.445 ' HA ' ' CE2' ' A' ' 101' ' ' PHE . 4.7 p30 -134.14 169.43 17.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.76 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -58.33 -26.61 63.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.544 -179.593 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.76 -61.55 1.74 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.751 0.31 . . . . 0.0 111.168 -179.62 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -73.57 -15.38 61.29 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.517 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -70.82 -32.43 69.49 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.833 0.349 . . . . 0.0 110.873 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -66.5 -26.32 67.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.008 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -85.35 -33.28 22.08 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.8 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . 0.551 ' CD1' HG11 ' A' ' 160' ' ' VAL . 11.4 t80 -61.83 -26.81 68.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.817 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -97.59 16.76 19.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.151 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -91.59 32.53 1.08 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.407 -179.717 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 102.21 75.38 1.1 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.594 -0.812 . . . . 0.0 112.699 179.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . 0.551 HG11 ' CD1' ' A' ' 156' ' ' PHE . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-O 120.858 0.361 . . . . 0.0 111.138 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 . . . . . 0 C--O 1.23 0.047 0 CA-C-O 120.678 0.275 . . . . 0.0 111.365 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -53.6 -28.69 33.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.101 -179.773 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -91.44 23.7 3.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.252 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.496 HD22 ' CE2' ' A' ' 153' ' ' PHE . 9.7 mt -61.2 -24.28 66.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.697 0.284 . . . . 0.0 111.12 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.9 -32.7 71.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.881 0.372 . . . . 0.0 110.906 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.402 ' O ' ' HG3' ' A' ' 102' ' ' ARG . 10.9 t70 -75.67 -25.1 56.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.049 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.418 ' O ' ' CG ' ' A' ' 103' ' ' MET . 0.7 OUTLIER -84.28 -14.63 49.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.44 -179.773 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.431 ' CE2' ' HA ' ' A' ' 149' ' ' ASP . 38.5 t80 -74.47 -33.69 62.94 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 111.855 0.317 . . . . 0.0 111.855 -179.155 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.402 ' HG3' ' O ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER -59.89 -46.34 89.64 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 111.822 0.305 . . . . 0.0 111.822 -179.061 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . 0.418 ' CG ' ' O ' ' A' ' 100' ' ' LEU . 4.4 ptp -54.52 -43.39 71.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.86 0.362 . . . . 0.0 111.022 -179.643 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -58.83 -30.62 67.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.835 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -78.92 150.42 32.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.814 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.54 ' HD3' HG21 ' A' ' 119' ' ' ILE . 2.9 tptp -95.45 -39.9 9.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.975 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 21.4 p30 -120.03 12.71 12.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.382 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 53.51 74.52 0.31 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.812 0.339 . . . . 0.0 111.236 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -111.5 -24.93 9.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.133 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 113.65 -3.47 24.66 Favored Glycine 0 CA--C 1.518 0.227 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.844 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.447 ' CD2' ' HB3' ' A' ' 149' ' ' ASP . 32.6 m-85 -147.42 153.53 39.71 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.733 0.301 . . . . 0.0 110.653 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 2.0 mt -127.68 151.1 34.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.9 0.381 . . . . 0.0 111.232 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -143.18 -177.32 5.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.8 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.506 HD22 ' SD ' ' A' ' 137' ' ' MET . 4.1 mm? -58.08 -22.83 52.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.172 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 58.9 mt-10 -67.26 -59.02 3.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.771 0.32 . . . . 0.0 111.046 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.862 ' HA ' HD12 ' A' ' 119' ' ' ILE . 6.2 mt-10 -71.98 -37.18 69.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.959 -179.769 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.737 HD23 HG22 ' A' ' 133' ' ' ILE . 10.9 tp -56.02 -41.83 75.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.248 -179.743 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.0 -28.27 67.28 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.14 -179.759 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.862 HD12 ' HA ' ' A' ' 116' ' ' GLU . 21.6 mt -74.87 -52.06 20.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.173 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . 0.463 ' CE ' HD22 ' A' ' 121' ' ' LEU . 7.2 ptm -59.45 -32.68 70.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.008 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.661 HD23 ' O ' ' A' ' 117' ' ' LEU . 3.5 mm? -67.75 -28.28 67.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.032 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -66.02 -25.64 67.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.702 179.718 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -57.98 -46.78 84.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.981 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 44.7 p -57.98 171.83 0.48 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.648 179.731 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -114.82 19.36 15.94 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.541 179.675 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -91.29 -168.46 2.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.77 0.319 . . . . 0.0 110.985 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 77.2 p -119.82 97.56 5.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.821 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 3.0 mp -112.14 145.02 18.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.166 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . 0.477 HG23 ' H ' ' A' ' 132' ' ' ASP . 1.3 t -102.78 162.95 12.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.868 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.3 -29.65 70.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.945 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.27 -30.42 60.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.001 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . 0.477 ' H ' HG23 ' A' ' 129' ' ' THR . 1.5 m-20 -66.68 -48.74 68.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.007 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.737 HG22 HD23 ' A' ' 117' ' ' LEU . 5.2 mt -60.95 -24.66 33.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.238 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . 0.427 ' HG2' HD11 ' A' ' 114' ' ' LEU . 0.9 OUTLIER -73.55 -29.59 62.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.904 0.383 . . . . 0.0 111.001 -179.931 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -77.37 -31.21 54.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.95 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.73 -45.39 89.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.986 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . 0.54 ' CG ' HD22 ' A' ' 117' ' ' LEU . 1.8 mtp -71.3 -20.95 62.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.148 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.61 -70.23 0.1 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.148 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 23.3 p-10 -63.84 -25.97 68.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.315 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -78.09 -18.44 76.62 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.576 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 29.6 t0 -98.72 85.19 3.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.824 0.345 . . . . 0.0 110.997 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 6.6 mmtt -81.95 -20.58 38.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.091 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -91.77 -21.08 20.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.945 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 71.41 33.04 1.99 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.982 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 16.8 p-10 -94.91 16.4 16.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.167 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 64.08 15.45 58.46 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.949 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 20.3 mtm180 -156.03 -175.16 5.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.888 0.375 . . . . 0.0 110.986 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 46.6 mt -141.87 143.0 27.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.123 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . 0.447 ' HB3' ' CD2' ' A' ' 111' ' ' TYR . 50.6 p-10 -135.67 -171.98 2.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.825 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 24.1 t80 -63.26 -24.33 67.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.337 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -80.32 -48.73 12.55 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.982 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -71.49 -24.03 61.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.164 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 153' ' ' PHE . . . . . 0.496 ' CE2' HD22 ' A' ' 97' ' ' LEU . 12.2 t80 -81.52 -31.19 32.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.868 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.39 -36.22 80.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.892 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -83.72 -30.96 26.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.735 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . 0.631 ' CE1' HG11 ' A' ' 160' ' ' VAL . 13.5 t80 -63.2 -40.38 97.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.885 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 2.7 mmt -88.84 8.2 30.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.238 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.53 40.57 1.04 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.697 0.284 . . . . 0.0 111.108 -179.799 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 104.29 87.32 1.99 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.625 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . 0.631 HG11 ' CE1' ' A' ' 156' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.336 0 CA-C-O 120.759 0.314 . . . . 0.0 111.108 179.788 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.494 ' HG2' HD11 ' A' ' 154' ' ' LEU . 54.1 mt-10 . . . . . 0 CA--C 1.527 0.059 0 CA-C-O 120.851 0.358 . . . . 0.0 111.032 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -76.56 -9.36 58.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.991 179.675 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -89.29 -27.98 20.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.088 -179.82 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.712 HD22 ' HG3' ' A' ' 157' ' ' MET . 72.4 mt -69.46 -14.81 63.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.568 -179.717 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 11.7 t -72.39 -42.16 65.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.761 0.315 . . . . 0.0 110.989 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.98 -27.83 63.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.991 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -78.67 -28.6 45.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.039 -179.824 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.433 ' CZ ' ' HA ' ' A' ' 149' ' ' ASP . 79.2 t80 -62.76 -54.45 38.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.008 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -54.2 -37.5 64.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.912 0.387 . . . . 0.0 110.855 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 61.1 mtt -54.74 -30.53 56.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -84.65 -22.44 29.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.966 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.56 151.23 24.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.913 0.387 . . . . 0.0 110.753 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.699 ' HD3' HG21 ' A' ' 119' ' ' ILE . 6.2 tptm -103.66 -37.41 7.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.846 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 18.5 p-10 -109.36 -12.58 14.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.283 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 64.22 60.05 1.0 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.954 0.407 . . . . 0.0 111.101 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -100.27 -23.74 14.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.046 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 125.32 -2.15 8.26 Favored Glycine 0 CA--C 1.519 0.303 0 C-N-CA 120.619 -0.801 . . . . 0.0 112.817 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.455 ' CD2' ' HB3' ' A' ' 149' ' ' ASP . 54.1 m-85 -151.78 156.38 40.11 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.951 0.405 . . . . 0.0 110.81 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 2.2 mt -127.3 148.84 32.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.699 179.533 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -133.36 -175.17 3.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.972 -179.708 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.71 -32.95 67.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.089 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -66.34 -50.79 62.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.961 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -71.99 -48.15 46.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.92 0.391 . . . . 0.0 110.889 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.642 HD21 ' HB3' ' A' ' 136' ' ' LEU . 15.7 tp -51.29 -26.52 7.53 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.32 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.471 ' HA ' HD21 ' A' ' 121' ' ' LEU . 2.7 tttt -76.84 -31.68 57.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.032 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.699 HG21 ' HD3' ' A' ' 106' ' ' LYS . 33.9 mt -76.99 -41.56 31.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.863 -179.386 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . 0.462 ' HE2' ' HB3' ' A' ' 121' ' ' LEU . 0.0 OUTLIER -65.37 -37.15 86.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.554 -0.293 . . . . 0.0 111.701 -179.236 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.709 HD12 ' N ' ' A' ' 122' ' ' GLN . 3.5 pp -67.53 -19.75 65.33 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.58 0.228 . . . . 0.0 111.383 -179.745 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . 0.709 ' N ' HD12 ' A' ' 121' ' ' LEU . 3.1 mm-40 -57.8 -24.02 55.28 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.79 0.329 . . . . 0.0 110.871 179.785 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -55.14 -42.3 72.87 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.042 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 11.9 p -59.5 159.44 8.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.705 179.694 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -77.27 -51.07 6.31 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.499 -0.858 . . . . 0.0 112.322 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -58.89 174.38 0.36 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.901 0.381 . . . . 0.0 111.17 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 1.7 p -111.83 124.83 53.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.971 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.491 HG22 ' N ' ' A' ' 129' ' ' THR . 26.1 mm -87.49 160.08 2.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.069 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . 0.538 HG23 ' H ' ' A' ' 132' ' ' ASP . 12.5 t -115.29 166.62 11.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.859 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . 0.602 ' HA ' HD12 ' A' ' 133' ' ' ILE . 0.2 OUTLIER -57.97 -31.56 67.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.917 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -69.76 -42.94 73.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.887 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . 0.538 ' H ' HG23 ' A' ' 129' ' ' THR . 20.4 m-20 -66.76 -37.41 84.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.072 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.602 HD12 ' HA ' ' A' ' 130' ' ' GLU . 9.1 mt -69.65 -33.86 58.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.081 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -68.44 -55.23 12.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.939 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.11 -25.47 68.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.244 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.642 ' HB3' HD21 ' A' ' 117' ' ' LEU . 0.1 OUTLIER -60.9 -52.22 65.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.16 -179.795 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 6.0 ttm -74.63 -19.01 60.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.33 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.72 -70.96 0.13 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.766 0.317 . . . . 0.0 111.106 -179.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 24.8 p-10 -55.92 -21.82 22.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.732 -179.693 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -87.71 -29.2 21.88 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.613 -0.803 . . . . 0.0 112.359 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -86.08 113.78 22.42 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.907 0.384 . . . . 0.0 110.915 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -106.66 -13.04 15.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.268 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -94.45 -10.69 31.59 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.72 0.295 . . . . 0.0 111.329 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 15.8 m-20 63.58 30.25 15.07 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 120.784 0.326 . . . . 0.0 110.924 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 40.0 p-10 -102.71 13.33 34.7 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.281 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 64.67 32.91 85.78 Favored Glycine 0 C--N 1.33 0.23 0 C-N-CA 120.884 -0.674 . . . . 0.0 113.199 179.435 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . 0.449 ' HD2' ' CD2' ' A' ' 111' ' ' TYR . 0.8 OUTLIER -160.88 179.71 8.26 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.981 0.42 . . . . 0.0 111.248 179.768 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . 0.438 HG22 ' N ' ' A' ' 149' ' ' ASP . 47.0 mt -138.94 155.48 27.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.885 179.737 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . 0.455 ' HB3' ' CD2' ' A' ' 111' ' ' TYR . 6.7 p30 -148.8 168.74 22.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.071 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 28.6 t80 -58.73 -24.13 61.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.298 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -70.05 -59.22 3.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.149 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -79.98 -11.67 59.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.476 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 153' ' ' PHE . . . . . 0.435 ' CE1' ' HG2' ' A' ' 157' ' ' MET . 11.4 t80 -75.05 -32.12 61.47 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.825 0.345 . . . . 0.0 110.82 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.494 HD11 ' HG2' ' A' ' 94' ' ' GLU . 0.3 OUTLIER -61.27 -28.84 69.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.999 179.934 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -86.9 -26.86 23.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.01 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . 0.617 ' O ' HG22 ' A' ' 160' ' ' VAL . 12.9 t80 -76.66 -29.91 56.57 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.809 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 157' ' ' MET . . . . . 0.712 ' HG3' HD22 ' A' ' 97' ' ' LEU . 1.5 mmt -83.32 -1.68 53.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.361 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 8.0 mtmm -88.85 49.72 1.83 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.918 0.389 . . . . 0.0 110.926 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 103.92 77.37 1.17 Allowed Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.403 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . 0.617 HG22 ' O ' ' A' ' 156' ' ' PHE . 2.2 t . . . . . 0 C--N 1.328 -0.362 0 CA-C-O 120.791 0.329 . . . . 0.0 111.081 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.572 ' HG2' HD11 ' A' ' 97' ' ' LEU . 17.1 mt-10 . . . . . 0 CA--C 1.528 0.123 0 CA-C-O 120.811 0.339 . . . . 0.0 111.076 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.25 -27.12 54.0 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.941 179.82 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.04 1.43 40.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.343 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.572 HD11 ' HG2' ' A' ' 94' ' ' GLU . 41.3 mt -58.95 -28.62 66.45 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.768 0.318 . . . . 0.0 111.013 -179.844 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.405 ' HA ' ' CE1' ' A' ' 150' ' ' TYR . 23.3 p -65.45 -33.47 76.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.976 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -74.99 -29.65 60.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.023 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 8.4 mt -75.21 -28.26 59.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.049 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.433 ' CZ ' ' HA ' ' A' ' 149' ' ' ASP . 56.4 t80 -64.6 -50.07 68.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.089 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -54.64 -36.16 64.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.044 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -60.68 -50.69 72.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.72 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.527 ' HB3' HD13 ' A' ' 112' ' ' ILE . 0.7 OUTLIER -60.63 -28.2 68.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.037 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.74 141.9 51.46 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.822 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.44 ' CE ' HG21 ' A' ' 119' ' ' ILE . 15.9 tptp -82.78 -49.95 9.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.068 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 45.9 p30 -120.05 17.03 12.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.312 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 50.81 72.13 0.37 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.831 0.348 . . . . 0.0 111.33 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -111.75 -2.78 15.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.498 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 97.79 -13.43 63.83 Favored Glycine 0 C--N 1.331 0.282 0 C-N-CA 120.576 -0.821 . . . . 0.0 112.709 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.422 ' CD2' ' HB3' ' A' ' 149' ' ' ASP . 23.4 m-85 -145.22 153.5 41.39 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.709 0.29 . . . . 0.0 110.729 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.527 HD13 ' HB3' ' A' ' 104' ' ' PHE . 8.4 mt -127.8 151.43 34.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.947 0.403 . . . . 0.0 111.131 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -133.05 -176.72 4.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.984 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.84 -44.25 97.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.987 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.12 -47.02 86.79 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.916 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.66 ' HA ' HD12 ' A' ' 119' ' ' ILE . 14.9 mt-10 -71.23 -51.06 26.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.798 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.576 HD21 ' HB3' ' A' ' 136' ' ' LEU . 12.5 tp -55.2 -31.14 61.19 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.085 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 15.4 tttt -67.34 -27.37 67.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.015 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.66 HD12 ' HA ' ' A' ' 116' ' ' GLU . 18.4 mt -72.86 -22.98 20.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.362 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 22.3 ttp -82.2 -34.25 29.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.292 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -73.34 -32.88 64.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.239 -179.668 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -64.43 -39.64 94.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.995 0.426 . . . . 0.0 110.56 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -48.7 -37.38 18.51 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.052 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 24.8 p -56.23 177.52 0.06 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.424 179.647 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -113.86 18.48 19.35 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.472 -0.87 . . . . 0.0 112.615 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . 0.44 ' CG ' HD11 ' A' ' 128' ' ' ILE . 13.9 pt-20 -101.73 -169.4 1.68 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.748 0.308 . . . . 0.0 110.676 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 68.4 p -119.79 102.55 8.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.745 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.44 HD11 ' CG ' ' A' ' 126' ' ' GLU . 1.7 mp -112.46 152.18 14.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.231 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . 0.55 HG22 ' OD2' ' A' ' 132' ' ' ASP . 1.4 t -105.87 159.88 15.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.849 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -59.92 -29.72 68.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.006 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.49 -30.98 65.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.926 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . 0.55 ' OD2' HG22 ' A' ' 129' ' ' THR . 3.9 m-20 -69.03 -31.3 69.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.02 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 21.6 mm -70.59 -14.22 17.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.602 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -73.98 -36.53 64.56 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.747 0.308 . . . . 0.0 111.076 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.38 -26.07 67.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.136 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.576 ' HB3' HD21 ' A' ' 117' ' ' LEU . 0.9 OUTLIER -64.1 -56.48 14.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.013 -179.934 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 6.5 ttm -74.3 -20.55 60.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.23 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.21 -69.57 0.11 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.257 -179.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . 0.407 ' OD1' ' N ' ' A' ' 140' ' ' GLY . 26.9 p-10 -69.06 -24.43 64.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.432 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . 0.407 ' N ' ' OD1' ' A' ' 139' ' ' ASP . . . -77.08 -6.21 85.82 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.771 179.746 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 36.2 t0 -99.01 121.69 41.29 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.895 0.378 . . . . 0.0 111.024 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -113.34 -27.79 7.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.056 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 15.9 p30 -93.81 -13.15 27.65 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.233 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 70.22 29.86 3.58 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 120.865 0.364 . . . . 0.0 111.345 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 40.2 p-10 -89.75 -29.77 18.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.418 179.42 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 104.54 27.56 6.04 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.45 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 21.1 mtm180 -151.62 -178.24 6.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.964 0.412 . . . . 0.0 110.893 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 25.6 mt -140.12 135.7 37.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.103 179.65 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . 0.433 ' HA ' ' CZ ' ' A' ' 101' ' ' PHE . 4.8 p30 -134.39 172.55 12.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.845 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 150' ' ' TYR . . . . . 0.548 ' O ' HD23 ' A' ' 154' ' ' LEU . 11.2 t80 -59.91 -26.42 65.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.286 -179.783 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.5 -62.03 1.57 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.847 0.356 . . . . 0.0 111.022 -179.749 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -73.89 -18.95 60.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.328 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 153' ' ' PHE . . . . . 0.434 ' CE1' ' HG3' ' A' ' 157' ' ' MET . 8.4 t80 -68.18 -42.84 79.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.788 0.327 . . . . 0.0 110.762 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.548 HD23 ' O ' ' A' ' 150' ' ' TYR . 2.2 mm? -55.32 -29.15 57.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.064 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -85.69 -33.4 21.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.755 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . 0.692 ' O ' HG22 ' A' ' 160' ' ' VAL . 14.0 t80 -69.74 -29.11 66.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 157' ' ' MET . . . . . 0.434 ' HG3' ' CE1' ' A' ' 153' ' ' PHE . 0.9 OUTLIER -93.1 3.31 55.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.154 179.876 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 18.3 tttt -91.28 45.4 1.24 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.882 0.372 . . . . 0.0 111.016 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 104.11 69.39 0.78 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.676 -0.774 . . . . 0.0 112.381 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . 0.692 HG22 ' O ' ' A' ' 156' ' ' PHE . 4.2 t . . . . . 0 C--N 1.328 -0.355 0 CA-C-O 120.797 0.332 . . . . 0.0 111.07 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.401 ' O ' HD12 ' A' ' 97' ' ' LEU . 16.9 mt-10 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.974 0.416 . . . . 0.0 110.472 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -57.96 -22.42 49.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.686 179.639 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.418 ' OE1' HD12 ' A' ' 100' ' ' LEU . 0.0 OUTLIER -78.43 -9.32 59.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.355 179.9 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.409 HD22 ' CE2' ' A' ' 153' ' ' PHE . 19.3 mt -51.22 -25.81 6.1 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.473 -179.749 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 23.0 t -63.44 -37.53 87.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.794 0.33 . . . . 0.0 110.99 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -68.03 -44.21 77.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.075 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.418 HD12 ' OE1' ' A' ' 96' ' ' GLU . 0.2 OUTLIER -64.19 -23.92 67.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.115 -179.851 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.42 ' CZ ' ' HA ' ' A' ' 149' ' ' ASP . 63.3 t80 -63.83 -48.59 76.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.716 0.293 . . . . 0.0 111.098 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 17.1 mtp180 -56.49 -33.13 65.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.881 0.372 . . . . 0.0 111.01 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 2.3 mtt -59.77 -52.0 67.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.833 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.524 ' HB3' HD13 ' A' ' 112' ' ' ILE . 1.7 m-85 -66.64 -22.13 66.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.126 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.18 144.5 32.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.82 0.343 . . . . 0.0 110.862 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.9 tptt -110.57 -48.98 3.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.967 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.416 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 26.7 p-10 -84.89 -20.4 30.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.107 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.416 ' HB3' ' O ' ' A' ' 107' ' ' ASN . . . 67.56 45.04 1.59 Allowed 'General case' 0 C--O 1.233 0.189 0 CA-C-O 120.983 0.421 . . . . 0.0 111.074 -179.827 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 20.7 p-10 -95.79 -26.37 15.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.984 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 124.97 2.48 7.82 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.879 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.44 ' CD2' ' HB3' ' A' ' 149' ' ' ASP . 30.7 m-85 -150.36 157.07 42.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.743 0.306 . . . . 0.0 110.897 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.524 HD13 ' HB3' ' A' ' 104' ' ' PHE . 3.9 mt -127.66 148.94 32.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.956 0.408 . . . . 0.0 111.121 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -133.62 179.88 5.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.887 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.752 ' HA ' HD12 ' A' ' 117' ' ' LEU . 1.2 mp -56.37 -29.95 62.08 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.257 -179.829 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.14 -42.36 99.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.023 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.69 ' HA ' HD12 ' A' ' 119' ' ' ILE . 0.1 OUTLIER -71.56 -39.73 70.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.151 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.883 HD11 ' HG2' ' A' ' 137' ' ' MET . 38.5 mt -53.5 -44.81 69.37 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.904 ' HG2' HD13 ' A' ' 133' ' ' ILE . 0.3 OUTLIER -64.78 -34.54 78.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.512 179.644 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.69 HD12 ' HA ' ' A' ' 116' ' ' GLU . 16.0 mt -75.67 -57.24 6.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.216 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 1.3 ptm -58.48 -29.33 66.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.204 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 26.7 mt -72.63 -27.05 61.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.056 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -66.16 -25.76 67.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.824 0.345 . . . . 0.0 110.745 179.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -58.4 -50.41 73.79 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.81 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 13.6 p -61.48 175.85 0.55 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.446 179.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -114.59 19.72 16.19 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.565 -0.826 . . . . 0.0 112.425 179.763 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -86.45 -175.66 5.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.816 0.341 . . . . 0.0 110.997 -179.765 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 17.8 p -119.18 101.74 8.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.751 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 3.9 mp -111.56 138.62 39.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.153 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.96 164.75 14.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.772 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . 0.632 ' HA ' HD12 ' A' ' 133' ' ' ILE . 0.3 OUTLIER -62.53 -45.62 92.13 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 -179.949 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.72 -30.27 66.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.919 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.41 -30.52 71.28 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.977 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.904 HD13 ' HG2' ' A' ' 118' ' ' LYS . 5.9 mt -73.79 -17.66 17.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.517 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.16 -36.03 69.21 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.797 0.332 . . . . 0.0 110.996 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -70.34 -22.44 62.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.117 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.785 HD13 ' HA ' ' A' ' 133' ' ' ILE . 2.4 mp -61.23 -53.13 60.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.856 0.36 . . . . 0.0 110.924 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . 0.883 ' HG2' HD11 ' A' ' 117' ' ' LEU . 1.1 mmt -67.98 -26.06 65.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.11 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -51.64 -74.85 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.166 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . 0.406 ' OD1' ' N ' ' A' ' 140' ' ' GLY . 16.0 p-10 -58.89 -33.73 70.84 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.271 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . 0.406 ' N ' ' OD1' ' A' ' 139' ' ' ASP . . . -69.57 -18.31 73.64 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.59 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -98.39 118.47 35.12 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.872 0.367 . . . . 0.0 110.857 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 8.5 mmmt -98.95 -23.06 15.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.157 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 22.7 p-10 -110.34 0.63 18.06 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.394 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 2.1 m120 59.08 38.31 23.95 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.831 0.348 . . . . 0.0 110.942 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 51.3 p-10 -92.06 14.94 14.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.386 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 63.28 15.16 56.35 Favored Glycine 0 CA--C 1.518 0.272 0 C-N-CA 120.896 -0.669 . . . . 0.0 113.289 179.507 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.92 -179.62 8.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.97 0.414 . . . . 0.0 111.199 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 69.1 mt -142.91 151.28 17.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.056 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . 0.44 ' HB3' ' CD2' ' A' ' 111' ' ' TYR . 3.4 p30 -143.11 -177.68 5.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 150' ' ' TYR . . . . . 0.672 ' O ' HD23 ' A' ' 154' ' ' LEU . 64.0 t80 -61.56 -26.1 67.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.247 -179.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -77.86 -50.8 11.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.848 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -70.19 -27.24 64.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.933 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 153' ' ' PHE . . . . . 0.421 ' CZ ' ' HG3' ' A' ' 157' ' ' MET . 21.9 t80 -72.61 -34.31 67.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.872 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.672 HD23 ' O ' ' A' ' 150' ' ' TYR . 1.4 mm? -62.69 -32.3 73.36 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -87.01 -33.37 19.6 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.775 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . 0.728 ' O ' HG22 ' A' ' 160' ' ' VAL . 11.4 t80 -68.86 -25.8 64.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.673 179.788 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 157' ' ' MET . . . . . 0.421 ' HG3' ' CZ ' ' A' ' 153' ' ' PHE . 1.1 mmt -91.79 8.21 38.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.433 -0.348 . . . . 0.0 111.162 179.775 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 57.3 mttt -90.78 42.62 1.11 Allowed 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.811 0.338 . . . . 0.0 111.057 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 104.62 89.27 2.1 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.831 -0.7 . . . . 0.0 112.44 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . 0.728 HG22 ' O ' ' A' ' 156' ' ' PHE . 2.0 t . . . . . 0 C--N 1.328 -0.337 0 CA-C-O 120.801 0.334 . . . . 0.0 111.074 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.757 0.313 . . . . 0.0 111.162 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.74 -29.34 68.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.968 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.67 -25.34 49.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.086 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 69.7 mt -54.92 -23.67 20.0 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.213 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 76.1 p -70.04 -49.47 50.88 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.957 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -63.46 -42.46 98.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.935 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 5.0 mt -59.35 -28.87 67.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.922 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.428 ' CZ ' ' HA ' ' A' ' 149' ' ' ASP . 86.7 t80 -61.19 -43.21 99.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.137 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -57.68 -45.66 85.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.964 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 3.4 mmm -53.69 -43.87 69.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.907 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.782 ' HB3' HD13 ' A' ' 112' ' ' ILE . 8.6 m-85 -67.85 -28.05 67.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.934 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -84.29 90.32 7.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.841 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.408 ' HB2' ' CG ' ' A' ' 116' ' ' GLU . 0.0 OUTLIER -56.28 -50.43 71.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.943 -179.826 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 36.4 p-10 -78.92 -27.71 43.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.059 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 65.62 63.74 0.6 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.119 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 29.8 p-10 -111.5 -20.91 12.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.124 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 124.55 0.66 8.53 Favored Glycine 0 CA--C 1.519 0.334 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.825 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.428 ' CD2' ' HB3' ' A' ' 149' ' ' ASP . 95.5 m-85 -154.4 160.45 41.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.804 0.335 . . . . 0.0 110.709 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.782 HD13 ' HB3' ' A' ' 104' ' ' PHE . 11.5 mt -128.02 151.66 35.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.175 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -132.89 173.37 11.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.833 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 1.1 mt -56.84 -29.52 62.92 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.074 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.422 ' O ' ' CG ' ' A' ' 118' ' ' LYS . 1.5 tt0 -71.22 -44.36 65.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.94 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.522 ' HA ' HD12 ' A' ' 119' ' ' ILE . 5.3 tt0 -74.1 -59.21 2.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.239 -179.603 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 53.2 tp -48.91 -30.63 6.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.769 -179.178 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.469 ' HA ' HD13 ' A' ' 133' ' ' ILE . 0.0 OUTLIER -71.73 -24.18 61.74 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.598 -0.273 . . . . 0.0 111.191 -179.601 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.522 HD12 ' HA ' ' A' ' 116' ' ' GLU . 33.9 mt -74.6 -45.24 45.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.825 0.345 . . . . 0.0 111.175 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 2.9 ttp -58.52 -32.7 69.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.977 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.594 HD22 HG12 ' A' ' 133' ' ' ILE . 0.2 OUTLIER -70.06 -19.43 63.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.215 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -64.98 -25.17 67.75 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.743 0.306 . . . . 0.0 110.837 179.747 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -55.97 -46.68 78.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.939 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 68.2 p -56.49 175.33 0.11 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.672 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -114.07 22.12 14.59 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.598 -0.811 . . . . 0.0 112.542 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -107.58 127.18 53.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.639 0.257 . . . . 0.0 110.845 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 46.0 p -65.19 99.87 0.41 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.069 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.519 HG22 ' N ' ' A' ' 129' ' ' THR . 35.5 mm -101.41 160.06 3.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.804 179.649 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . 0.519 ' N ' HG22 ' A' ' 128' ' ' ILE . 1.8 m -107.54 160.52 15.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.721 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.92 -29.53 68.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.004 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -77.76 -29.33 50.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.028 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -69.6 -38.94 77.51 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.98 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.594 HG12 HD22 ' A' ' 121' ' ' LEU . 39.3 mt -73.33 -8.62 11.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.655 -179.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -74.13 -29.66 61.92 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.713 0.292 . . . . 0.0 111.081 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -63.27 -37.64 88.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.971 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.54 -45.72 92.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.892 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . 0.582 ' HE3' HD12 ' A' ' 148' ' ' ILE . 0.0 OUTLIER -70.34 -31.3 68.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.92 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 2.8 mmmt -58.99 -75.76 0.05 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.119 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 28.9 p-10 -60.16 -20.09 56.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.511 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -79.25 -44.63 9.49 Favored Glycine 0 N--CA 1.453 -0.19 0 C-N-CA 120.564 -0.827 . . . . 0.0 112.403 179.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 36.5 t0 -65.54 104.89 1.08 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.762 0.315 . . . . 0.0 111.001 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 10.6 mmtp -98.49 -23.01 15.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.045 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 30.0 m120 -86.03 -13.42 47.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.117 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 68.07 37.78 2.88 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.861 0.363 . . . . 0.0 110.867 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 17.6 p-10 -112.74 15.54 19.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.195 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 61.29 30.72 74.8 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.57 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 83.7 mtt180 -157.14 178.2 10.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.873 0.368 . . . . 0.0 110.915 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . 0.582 HD12 ' HE3' ' A' ' 137' ' ' MET . 46.1 mt -131.83 158.33 43.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.95 179.804 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . 0.493 ' N ' HG22 ' A' ' 148' ' ' ILE . 2.3 p30 -154.86 167.34 30.59 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.995 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 150' ' ' TYR . . . . . 0.414 ' O ' HD23 ' A' ' 154' ' ' LEU . 78.4 t80 -56.36 -27.74 56.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.255 -179.785 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.94 -57.07 5.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.064 -179.829 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -80.09 -9.06 59.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.574 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -77.4 -37.71 51.36 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.777 0.322 . . . . 0.0 110.713 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.414 HD23 ' O ' ' A' ' 150' ' ' TYR . 3.5 mm? -67.7 -25.57 65.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.022 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -83.05 -33.28 26.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.864 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . 0.666 ' O ' HG22 ' A' ' 160' ' ' VAL . 26.6 t80 -76.36 -28.26 56.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.857 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.8 -2.63 58.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.387 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 2.4 tptm -90.57 49.77 1.72 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.844 0.354 . . . . 0.0 110.866 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 103.57 69.63 0.8 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.355 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . 0.666 HG22 ' O ' ' A' ' 156' ' ' PHE . 6.4 t . . . . . 0 C--N 1.328 -0.349 0 CA-C-O 120.854 0.359 . . . . 0.0 111.03 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 7.9 mtt . . . . . 0 N--CA 1.487 1.396 0 CA-C-O 120.872 0.368 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 21.3 t 57.78 79.81 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.195 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 13.7 ptt180 -112.15 -45.16 3.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 1.1 t -100.86 -36.77 8.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.907 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 24.0 ptm 46.2 -169.45 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.277 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.0 mtpm? -65.24 157.38 29.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.931 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -104.52 168.34 9.15 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.862 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -77.54 166.29 23.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.932 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 89.7 p -62.91 111.19 2.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.913 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.55 -169.95 1.79 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -65.81 103.62 0.87 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.521 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.429 ' CB ' ' HB3' ' A' ' 96' ' ' GLU . 7.3 mmtt -104.82 136.57 44.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.814 0.34 . . . . 0.0 110.963 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -101.55 -78.76 0.52 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.003 -179.697 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -75.98 -44.08 41.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.599 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.7 -19.8 62.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.858 179.665 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.429 ' HB3' ' CB ' ' A' ' 92' ' ' LYS . 0.0 OUTLIER -79.95 -3.08 46.68 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.419 -179.858 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.536 HD22 ' CE2' ' A' ' 153' ' ' PHE . 54.0 mt -59.51 -19.35 47.47 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.536 -179.72 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 43.4 t -69.36 -33.19 72.71 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.791 0.329 . . . . 0.0 111.085 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -81.04 -32.1 34.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.084 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 15.1 mt -68.38 -28.83 67.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.999 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.446 ' CE1' ' HA ' ' A' ' 149' ' ' ASP . 70.6 t80 -61.62 -53.17 59.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.149 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 36.0 mtm180 -56.24 -31.56 63.66 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.005 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 26.3 mtt -64.28 -20.79 66.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.141 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -95.57 -20.48 18.95 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.212 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -82.31 143.65 31.14 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.821 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 4.6 mmpt? -97.01 -33.93 11.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.998 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 34.9 p30 -116.35 -9.34 11.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.309 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 63.69 63.76 0.83 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.868 0.366 . . . . 0.0 111.033 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -104.86 -5.92 20.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.393 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 104.54 -14.03 50.56 Favored Glycine 0 C--N 1.332 0.319 0 C-N-CA 120.608 -0.806 . . . . 0.0 112.722 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -145.09 152.2 39.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.734 0.302 . . . . 0.0 110.736 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 2.8 mt -127.67 153.2 36.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.965 0.412 . . . . 0.0 111.218 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -135.92 175.02 9.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.752 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 4.0 tp -54.37 -40.64 68.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.227 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.453 ' O ' HD12 ' A' ' 119' ' ' ILE . 4.6 pt-20 -58.14 -47.92 81.84 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.898 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -71.23 -53.09 15.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.749 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.488 ' O ' HD12 ' A' ' 121' ' ' LEU . 14.8 tp -51.63 -29.02 16.19 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.173 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.544 ' HG3' HD13 ' A' ' 133' ' ' ILE . 42.1 tttt -59.97 -41.67 92.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.836 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.453 HD12 ' O ' ' A' ' 115' ' ' GLU . 2.9 mp -72.51 -26.7 24.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.136 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 4.6 ttp -69.75 -38.66 76.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.855 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.748 HD13 HG12 ' A' ' 133' ' ' ILE . 0.6 OUTLIER -67.05 -27.28 67.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.985 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 -57.24 -23.59 49.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.851 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -55.78 -45.7 78.1 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.069 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 70.5 p -65.44 170.98 4.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.563 179.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -113.84 26.46 9.99 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.556 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -101.72 -167.01 1.36 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.749 0.309 . . . . 0.0 110.849 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 5.0 p -119.19 111.04 17.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.762 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 28.7 mm -112.65 141.8 27.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.13 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 2.4 p -103.36 166.48 10.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.801 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -59.3 -30.2 68.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.919 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -76.37 -30.79 57.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.909 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -69.45 -43.55 73.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.959 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.748 HG12 HD13 ' A' ' 121' ' ' LEU . 22.0 mt -63.73 -22.32 30.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.251 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -73.23 -35.29 66.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.973 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -57.27 -32.69 66.86 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.14 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.42 HD13 HD21 ' A' ' 117' ' ' LEU . 1.7 mt -70.59 -44.98 66.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.99 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.94 -35.98 64.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.99 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 2.8 tttt -59.24 -71.2 0.13 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.99 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 28.2 p-10 -58.99 -19.73 46.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.621 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -88.59 -27.04 25.78 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.471 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 56.7 t0 -68.13 110.93 4.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.831 0.348 . . . . 0.0 110.929 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 14.0 mmmt -109.19 -30.18 8.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.994 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -87.83 -4.42 58.87 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.209 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 63.27 26.37 15.09 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.797 0.332 . . . . 0.0 111.213 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 35.8 p-10 -98.01 -22.65 16.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.714 179.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 101.4 7.69 48.39 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.812 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -128.13 -172.12 2.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.873 0.368 . . . . 0.0 110.951 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 47.4 mt -146.23 134.4 15.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.979 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . 0.446 ' HA ' ' CE1' ' A' ' 101' ' ' PHE . 5.8 p-10 -134.14 -173.4 3.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.752 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' TYR . . . . . 0.736 ' O ' HD23 ' A' ' 154' ' ' LEU . 8.8 t80 -58.96 -27.58 65.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.141 -179.786 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -77.09 -52.89 8.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.722 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -67.35 -25.31 65.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.027 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 153' ' ' PHE . . . . . 0.536 ' CE2' HD22 ' A' ' 97' ' ' LEU . 15.5 t80 -72.64 -41.42 65.5 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.825 0.345 . . . . 0.0 110.876 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.736 HD23 ' O ' ' A' ' 150' ' ' TYR . 3.6 mm? -63.87 -31.76 73.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.917 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -83.65 -41.57 17.63 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . 0.478 ' CD1' HG11 ' A' ' 160' ' ' VAL . 20.7 t80 -64.21 -22.48 66.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.098 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 21.3 mmt -101.0 13.27 35.76 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.429 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -91.41 35.19 0.94 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.688 0.28 . . . . 0.0 111.356 -179.712 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 104.39 81.68 1.52 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.622 -0.799 . . . . 0.0 112.674 179.621 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . 0.478 HG11 ' CD1' ' A' ' 156' ' ' PHE . 1.1 m -114.52 -42.39 3.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.839 0.352 . . . . 0.0 111.2 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.852 -179.965 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 162' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 163' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.861 0.362 . . . . 0.0 111.13 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 10.8 p -99.23 -32.46 3.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.049 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 16.2 ttt-85 -88.83 149.36 23.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.889 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 1.7 m 60.1 31.26 20.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.01 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 3.6 tmm? -69.26 -67.96 0.44 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -84.5 154.27 22.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.956 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 8.6 p30 -110.42 169.55 8.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.983 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -63.53 -22.35 66.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.188 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.5 t -68.25 179.73 1.51 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.961 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 11.5 mttp -74.5 154.8 38.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -67.47 -65.67 2.65 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.572 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.437 ' CB ' ' HB3' ' A' ' 96' ' ' GLU . 80.0 mttt -112.4 145.19 40.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.944 0.402 . . . . 0.0 110.993 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.7 p -100.72 -80.1 0.49 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.819 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -77.77 -46.1 22.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.972 0.415 . . . . 0.0 110.246 179.564 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -56.31 -23.36 36.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.774 179.545 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.545 ' OE2' HD11 ' A' ' 100' ' ' LEU . 0.1 OUTLIER -76.71 -5.82 49.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.258 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.409 HD22 ' CE2' ' A' ' 153' ' ' PHE . 19.9 mt -51.26 -25.79 6.23 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.704 0.287 . . . . 0.0 111.41 -179.736 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 19.9 p -60.78 -31.12 70.49 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.879 0.371 . . . . 0.0 110.99 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.98 -39.7 65.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.916 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.545 HD11 ' OE2' ' A' ' 96' ' ' GLU . 4.3 mp -70.5 -24.76 62.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.094 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.439 ' CZ ' ' HA ' ' A' ' 149' ' ' ASP . 76.0 t80 -58.36 -46.58 86.0 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.018 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 15.1 mtm180 -56.78 -36.28 69.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.97 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 20.0 mmm -59.75 -21.04 60.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.106 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.464 ' HB3' HD13 ' A' ' 112' ' ' ILE . 12.7 m-85 -98.73 -20.17 17.08 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.208 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.14 151.42 22.21 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.899 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.63 -31.03 11.79 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.004 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 15.8 p30 -114.27 -14.11 12.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.302 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 64.62 62.57 0.78 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.946 0.403 . . . . 0.0 111.064 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -106.1 -25.37 12.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.999 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 125.14 -11.16 7.73 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.791 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.443 ' CD2' ' HB3' ' A' ' 149' ' ' ASP . 3.5 m-85 -143.13 146.41 33.72 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.738 0.304 . . . . 0.0 110.865 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.464 HD13 ' HB3' ' A' ' 104' ' ' PHE . 5.6 mt -128.05 154.46 38.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.035 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . 0.417 ' N ' HG22 ' A' ' 112' ' ' ILE . 1.6 p30 -138.59 -177.77 5.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.954 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.816 HD21 ' HG2' ' A' ' 134' ' ' GLU . 0.6 OUTLIER -58.24 -30.34 66.45 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.9 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.91 -57.35 10.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.773 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -72.02 -49.36 37.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.951 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.408 HD23 ' CG2' ' A' ' 133' ' ' ILE . 2.6 tp -52.86 -27.15 17.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.319 -179.774 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -74.96 -29.14 60.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.018 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 26.4 mt -71.79 -49.41 45.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.179 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 1.2 ptm -58.68 -30.22 67.21 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.823 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.911 HD21 ' HB ' ' A' ' 128' ' ' ILE . 2.2 tp -63.86 -31.44 72.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.741 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 69.5 mm-40 -62.61 -26.04 68.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.688 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -56.79 -46.82 81.32 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.06 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 20.2 p -60.39 170.19 1.44 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.567 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -113.94 23.5 12.92 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.518 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -98.7 -170.2 1.9 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.838 0.352 . . . . 0.0 110.837 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 24.7 p -120.07 100.38 7.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.774 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.911 ' HB ' HD21 ' A' ' 121' ' ' LEU . 3.9 mp -113.2 141.62 28.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.974 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 77.2 p -94.27 167.29 11.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.853 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.505 ' HA ' HD12 ' A' ' 133' ' ' ILE . 0.5 OUTLIER -70.86 -30.89 67.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.796 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -75.74 -27.82 58.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.973 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -70.75 -40.5 72.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.956 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.537 HD11 HD22 ' A' ' 121' ' ' LEU . 8.1 mt -65.5 -17.54 22.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.437 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.816 ' HG2' HD21 ' A' ' 114' ' ' LEU . 6.0 mt-10 -70.34 -53.24 17.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.89 0.376 . . . . 0.0 110.942 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -62.17 -20.75 64.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.224 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.27 -41.38 85.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.853 0.359 . . . . 0.0 110.966 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . 0.457 ' SD ' HD12 ' A' ' 114' ' ' LEU . 26.2 mtp -75.9 -20.56 57.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.319 -179.788 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 18.2 mmtt -56.92 -70.87 0.11 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.746 0.308 . . . . 0.0 111.201 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 22.7 p-10 -54.45 -24.42 20.07 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.567 -179.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -87.39 -23.64 39.45 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.509 -0.853 . . . . 0.0 112.567 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -81.08 97.0 7.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.814 0.34 . . . . 0.0 111.072 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 4.8 mmmt -98.06 -25.47 14.93 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.919 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -83.76 -12.31 55.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.074 179.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 62.25 29.38 17.38 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.168 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 34.8 p-10 -100.62 13.65 34.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.258 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 67.7 25.79 73.94 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.72 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 11.4 mtt180 -156.99 -172.82 4.18 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.725 0.297 . . . . 0.0 110.958 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 47.9 mt -142.32 134.95 27.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.091 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . 0.443 ' HB3' ' CD2' ' A' ' 111' ' ' TYR . 6.9 p30 -134.45 172.17 13.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.728 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 36.9 t80 -59.79 -24.02 63.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.407 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -70.13 -62.61 1.32 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.817 0.342 . . . . 0.0 111.075 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -72.84 -23.58 60.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.237 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 153' ' ' PHE . . . . . 0.409 ' CE2' HD22 ' A' ' 97' ' ' LEU . 17.4 t80 -62.16 -31.44 71.94 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.887 0.375 . . . . 0.0 110.697 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.84 -25.68 68.01 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.061 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -84.17 -34.23 24.04 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -62.86 -30.98 71.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.951 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -101.69 12.4 37.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.309 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.65 33.88 1.0 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.356 -179.736 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 103.51 73.26 0.94 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.565 -0.826 . . . . 0.0 112.598 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 1.6 m -111.38 30.37 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.81 0.338 . . . . 0.0 111.092 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.868 -179.961 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 162' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 163' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 1.5 mtm . . . . . 0 N--CA 1.486 1.326 0 CA-C-O 120.848 0.356 . . . . 0.0 111.22 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 15.3 m -101.08 30.79 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.164 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -128.29 34.28 4.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.965 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 91.0 m -89.07 -49.67 6.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 2.0 ttt -94.29 -67.83 0.83 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 61.5 tttt -129.4 150.94 50.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.909 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -107.15 -49.34 3.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.898 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -96.76 130.07 44.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.879 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 7.6 t -52.23 -178.59 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.251 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 15.4 ptpt -79.14 158.17 27.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.021 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -104.26 121.63 7.07 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.401 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.2 mtpp -75.15 61.17 1.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.887 0.375 . . . . 0.0 111.182 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.43 HG23 ' H ' ' A' ' 94' ' ' GLU . 0.0 OUTLIER -100.9 -94.87 0.27 Allowed 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.797 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.43 ' H ' HG23 ' A' ' 93' ' ' THR . 21.2 mt-10 -83.18 -36.36 24.76 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-O 120.881 0.372 . . . . 0.0 110.667 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -59.88 -29.58 68.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.829 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.01 -19.88 61.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.135 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 89.3 mt -50.08 -26.25 4.25 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.504 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 21.3 t -67.34 -49.58 63.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.826 0.346 . . . . 0.0 110.933 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -64.92 -42.24 94.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.984 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -55.43 -27.44 47.95 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.2 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.406 ' CZ ' ' HA ' ' A' ' 149' ' ' ASP . 65.9 t80 -62.48 -51.17 68.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.779 0.323 . . . . 0.0 110.967 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -56.02 -30.53 62.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.945 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 1.1 mmt -62.71 -21.98 66.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.075 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.769 ' HB3' HD13 ' A' ' 112' ' ' ILE . 3.6 m-85 -94.16 -20.11 20.17 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.111 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -92.39 147.62 22.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.799 0.333 . . . . 0.0 110.862 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.02 -29.78 11.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.921 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 22.6 p-10 -113.42 -14.34 12.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.229 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 66.03 72.25 0.4 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.857 0.361 . . . . 0.0 111.066 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -110.61 -27.35 8.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.103 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 125.13 -8.32 8.01 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.886 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.435 ' CD2' ' HB3' ' A' ' 149' ' ' ASP . 1.9 m-85 -147.85 151.91 36.74 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.821 0.343 . . . . 0.0 110.675 179.776 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.769 HD13 ' HB3' ' A' ' 104' ' ' PHE . 3.3 mt -128.09 153.69 37.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.007 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -135.63 -170.62 2.65 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.939 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 3.4 tt -66.67 -35.77 80.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.131 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -60.51 -51.07 70.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.04 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.414 ' HB3' HG23 ' A' ' 112' ' ' ILE . 0.6 OUTLIER -72.12 -53.86 11.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.962 -179.867 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.693 HD21 HD22 ' A' ' 136' ' ' LEU . 11.6 tp -51.1 -27.72 9.0 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.264 -179.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 4.9 ttmm -70.36 -28.25 64.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.023 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 30.4 mt -70.94 -48.54 55.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.13 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 6.0 ptm -61.27 -31.33 71.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.952 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.695 HD23 HG13 ' A' ' 128' ' ' ILE . 0.5 OUTLIER -70.2 -31.44 68.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.846 179.906 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -65.98 -25.89 67.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.638 179.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -57.93 -44.72 87.09 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.992 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 62.8 p -59.83 176.32 0.3 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.619 179.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -114.21 23.98 12.04 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.431 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . 0.736 ' OE1' HD11 ' A' ' 128' ' ' ILE . 15.9 pt-20 -100.38 -172.75 2.26 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.731 0.301 . . . . 0.0 110.869 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -120.02 104.7 10.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.845 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.736 HD11 ' OE1' ' A' ' 126' ' ' GLU . 24.0 mm -112.32 149.48 14.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.134 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 10.2 p -108.95 166.22 10.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.787 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.581 ' HA ' HD12 ' A' ' 133' ' ' ILE . 20.7 mt-10 -64.73 -30.75 71.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -69.74 -31.54 69.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.945 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.93 -40.21 75.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.947 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.581 HD12 ' HA ' ' A' ' 130' ' ' GLU . 10.2 mt -66.91 -25.25 33.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.245 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -69.39 -39.84 77.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.88 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -70.22 -30.97 68.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.985 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.693 HD22 HD21 ' A' ' 117' ' ' LEU . 0.1 OUTLIER -59.53 -47.99 83.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.969 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . 0.522 ' SD ' HD22 ' A' ' 117' ' ' LEU . 15.8 mmm -75.19 -24.45 57.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.126 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 10.5 tptt -56.72 -68.33 0.23 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.105 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 29.8 p-10 -60.43 -19.06 54.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.534 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . 0.439 ' HA2' ' CD1' ' A' ' 156' ' ' PHE . . . -86.54 -32.43 15.93 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.59 -0.814 . . . . 0.0 112.348 179.749 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -69.2 123.06 20.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.916 0.388 . . . . 0.0 111.05 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 4.6 mmtm -108.99 -25.45 10.71 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.98 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 19.0 p-10 -104.67 -2.94 24.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.266 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 66.36 28.44 9.75 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.667 0.27 . . . . 0.0 111.115 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 42.3 p-10 -87.82 5.03 42.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.377 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 67.03 28.99 73.99 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.851 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . 0.569 ' O ' HD13 ' A' ' 148' ' ' ILE . 42.9 mtt180 -156.86 -177.23 6.46 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.813 0.34 . . . . 0.0 111.057 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . 0.569 HD13 ' O ' ' A' ' 147' ' ' ARG . 32.2 mm -141.56 141.42 30.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.083 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . 0.435 ' HB3' ' CD2' ' A' ' 111' ' ' TYR . 4.3 p30 -137.5 -176.17 4.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 150' ' ' TYR . . . . . 0.597 ' O ' HD13 ' A' ' 154' ' ' LEU . 38.3 t80 -59.94 -27.26 66.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.131 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.39 -50.05 12.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.822 0.344 . . . . 0.0 110.716 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -68.45 -26.55 65.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.092 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -73.18 -46.33 51.32 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.951 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.597 HD13 ' O ' ' A' ' 150' ' ' TYR . 5.3 mp -56.28 -32.1 64.26 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.941 -179.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -85.35 -37.21 20.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.778 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . 0.505 ' CD1' HG11 ' A' ' 160' ' ' VAL . 26.4 t80 -66.29 -26.72 67.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.066 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 1.2 mmt -96.58 11.56 34.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.363 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 8.0 mttt -91.2 37.21 0.93 Allowed 'General case' 0 C--O 1.232 0.153 0 CA-C-O 120.754 0.311 . . . . 0.0 111.476 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 100.06 82.35 1.66 Allowed Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.755 179.503 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . 0.505 HG11 ' CD1' ' A' ' 156' ' ' PHE . 0.5 OUTLIER -114.66 -39.43 2.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.835 0.35 . . . . 0.0 111.16 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 -179.973 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 162' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 163' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.879 0.371 . . . . 0.0 111.116 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.562 HG12 ' H ' ' A' ' 84' ' ' CYS . 21.3 t 63.77 143.1 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.057 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.51 -35.03 75.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.024 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.562 ' H ' HG12 ' A' ' 82' ' ' VAL . 5.9 t 58.83 91.03 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 1.1 mtp -81.65 163.87 22.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.928 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 14.7 mtpt -85.9 151.67 23.59 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.972 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -105.46 36.82 2.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.997 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -112.15 21.07 16.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.152 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -106.81 -51.72 2.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.874 0.368 . . . . 0.0 111.04 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.36 -176.8 0.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.058 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -53.2 120.45 13.02 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.97 -0.633 . . . . 0.0 112.776 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.461 ' HB2' ' HB3' ' A' ' 96' ' ' GLU . 6.6 mtmt -112.51 152.63 28.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.739 0.304 . . . . 0.0 110.785 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -101.82 -86.26 0.42 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.552 -179.248 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -75.99 -28.44 57.82 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.829 0.347 . . . . 0.0 111.016 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.441 ' CB ' ' HD2' ' A' ' 92' ' ' LYS . 3.7 mt-10 -79.93 -10.52 59.78 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.143 179.793 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.722 ' OE2' HD13 ' A' ' 100' ' ' LEU . 0.1 OUTLIER -84.09 -25.34 29.84 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.86 0.362 . . . . 0.0 111.109 179.881 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.776 HD21 ' HG2' ' A' ' 157' ' ' MET . 38.2 mt -57.9 -20.05 34.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.628 -179.674 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.8 t -71.18 -47.56 56.85 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.73 0.3 . . . . 0.0 110.995 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -67.55 -39.34 84.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.071 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.722 HD13 ' OE2' ' A' ' 96' ' ' GLU . 0.7 OUTLIER -70.89 -28.43 64.54 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.05 -179.872 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.437 ' CZ ' ' HA ' ' A' ' 149' ' ' ASP . 31.7 t80 -55.49 -30.35 60.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.927 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.1 -32.1 73.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.791 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 5.3 mmm -60.06 -52.55 64.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.828 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.503 ' HB3' HD13 ' A' ' 112' ' ' ILE . 1.0 OUTLIER -67.29 -26.13 66.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.997 179.913 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -82.71 151.25 26.3 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.865 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.11 -47.43 3.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.82 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -79.24 -23.17 43.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.963 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 65.21 41.06 4.63 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.845 0.355 . . . . 0.0 111.042 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 22.4 p-10 -97.96 -23.77 15.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.114 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 125.07 -1.24 8.37 Favored Glycine 0 CA--C 1.52 0.373 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.839 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.437 ' CD2' ' HB3' ' A' ' 149' ' ' ASP . 15.5 m-85 -145.43 150.81 37.19 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.819 0.342 . . . . 0.0 110.807 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.503 HD13 ' HB3' ' A' ' 104' ' ' PHE . 17.0 mt -127.95 154.34 38.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.012 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -132.94 -175.9 3.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.998 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.974 HD13 HD12 ' A' ' 117' ' ' LEU . 4.3 mm? -62.74 -33.3 74.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.24 -179.708 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -58.36 -44.82 88.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.137 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.747 ' HA ' HD12 ' A' ' 119' ' ' ILE . 9.0 mt-10 -71.82 -33.74 68.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.13 -179.728 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.974 HD12 HD13 ' A' ' 114' ' ' LEU . 86.9 mt -55.43 -48.14 74.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.764 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.678 ' HG3' HD13 ' A' ' 133' ' ' ILE . 22.1 mttt -59.54 -27.49 66.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.636 179.739 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.747 HD12 ' HA ' ' A' ' 116' ' ' GLU . 42.8 mt -75.97 -58.83 3.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.178 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 1.9 ptm -59.52 -31.12 69.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.011 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.777 HD13 HG12 ' A' ' 133' ' ' ILE . 0.8 OUTLIER -70.05 -30.83 68.19 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.893 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 7.4 mm-40 -62.92 -25.0 68.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.591 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -56.56 -46.38 80.74 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.976 179.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 11.5 p -62.57 174.86 0.89 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.496 179.688 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -114.07 19.43 17.87 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.624 -0.798 . . . . 0.0 112.588 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . 0.461 ' OE2' HD11 ' A' ' 128' ' ' ILE . 4.7 pt-20 -107.41 124.48 49.91 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.914 0.387 . . . . 0.0 110.738 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 46.7 p -59.99 104.57 0.31 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.063 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.461 HD11 ' OE2' ' A' ' 126' ' ' GLU . 29.5 mm -97.3 155.51 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.973 179.829 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . 0.444 ' N ' HG22 ' A' ' 128' ' ' ILE . 15.1 t -111.44 160.06 17.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.796 179.81 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.582 ' HA ' HD12 ' A' ' 133' ' ' ILE . 56.5 mt-10 -59.34 -35.05 73.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.932 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.72 -30.81 71.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.975 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.99 -37.04 58.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.898 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.777 HG12 HD13 ' A' ' 121' ' ' LEU . 16.8 mt -69.56 -31.85 50.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.127 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -65.6 -57.38 8.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.977 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.09 -21.59 46.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.23 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.25 -50.22 74.35 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.843 0.354 . . . . 0.0 110.874 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . 0.619 ' HG2' HD11 ' A' ' 117' ' ' LEU . 0.0 OUTLIER -72.03 -22.24 61.42 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.195 -179.936 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 10.6 tttt -49.84 -72.49 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.809 0.338 . . . . 0.0 111.348 -179.69 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . 0.423 ' OD2' ' CZ ' ' A' ' 156' ' ' PHE . 19.2 p-10 -63.61 -31.52 72.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.358 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . 0.417 ' N ' ' OD1' ' A' ' 139' ' ' ASP . . . -69.65 -26.08 74.83 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.491 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -88.91 117.98 28.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.787 0.327 . . . . 0.0 110.854 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.75 -24.81 16.33 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.096 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 31.1 p30 -116.35 18.04 15.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.108 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 15.8 p30 43.2 42.98 3.75 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.643 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 35.9 p-10 -93.06 14.36 18.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.278 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 62.86 15.87 55.88 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.944 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 49.3 mtt180 -149.1 -177.88 6.07 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.788 0.327 . . . . 0.0 110.934 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 36.1 mt -148.4 137.69 15.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.26 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . 0.437 ' HA ' ' CZ ' ' A' ' 101' ' ' PHE . 4.1 p30 -134.16 177.86 7.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.591 179.631 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 150' ' ' TYR . . . . . 0.773 ' CZ ' HD21 ' A' ' 154' ' ' LEU . 19.8 t80 -56.71 -38.28 72.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.83 0.348 . . . . 0.0 110.95 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.48 -55.41 31.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.697 179.802 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -71.07 -27.77 63.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.057 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 153' ' ' PHE . . . . . 0.603 ' CE2' HD22 ' A' ' 97' ' ' LEU . 10.7 t80 -72.33 -42.74 65.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.886 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.773 HD21 ' CZ ' ' A' ' 150' ' ' TYR . 11.9 mt -56.11 -31.74 63.56 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.838 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -82.64 -34.6 27.45 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.742 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . 0.579 ' O ' HG22 ' A' ' 160' ' ' VAL . 16.3 t80 -68.42 -34.08 75.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.671 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 157' ' ' MET . . . . . 0.776 ' HG2' HD21 ' A' ' 97' ' ' LEU . 0.2 OUTLIER -90.06 2.55 55.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.157 179.886 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.04 45.66 1.26 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.857 0.36 . . . . 0.0 110.972 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 104.26 76.03 1.07 Allowed Glycine 0 N--CA 1.453 -0.204 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.4 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . 0.579 HG22 ' O ' ' A' ' 156' ' ' PHE . 2.8 t -71.05 -35.76 60.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.821 0.343 . . . . 0.0 111.107 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.87 -179.992 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 162' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 163' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 1.5 ttp . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.707 0.289 . . . . 0.0 111.211 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 6.5 m -140.24 130.76 29.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.052 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 40.4 ttt180 -117.31 104.93 11.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.986 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 59.9 m -130.06 117.93 20.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.796 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 3.2 tpp -170.82 -42.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.931 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.59 30.39 15.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.873 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -78.54 104.38 9.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.876 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -102.48 167.06 10.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.958 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 27.4 t -106.49 84.68 2.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 63.3 mttt -87.79 104.13 16.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.964 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.452 ' O ' ' N ' ' A' ' 93' ' ' THR . . . -79.65 165.06 49.38 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.365 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.43 ' HA ' ' HG3' ' A' ' 96' ' ' GLU . 8.7 mttt -63.29 68.6 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.818 0.342 . . . . 0.0 111.388 -179.541 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.452 ' N ' ' O ' ' A' ' 91' ' ' GLY . 15.2 p -101.25 -165.87 1.25 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.749 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -59.37 -29.66 67.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.802 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.65 -24.31 21.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.027 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.43 ' HG3' ' HA ' ' A' ' 92' ' ' LYS . 15.2 mm-40 -90.54 12.51 18.52 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.361 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 31.5 mt -65.19 -29.07 69.85 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.758 0.313 . . . . 0.0 110.891 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.401 ' CA ' ' CE1' ' A' ' 150' ' ' TYR . 1.0 OUTLIER -69.31 -48.3 61.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.725 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.57 -42.32 96.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.857 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.35 -30.11 70.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.917 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.432 ' CZ ' ' HA ' ' A' ' 149' ' ' ASP . 65.8 t80 -59.9 -40.63 89.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.935 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 11.9 ttm180 -58.59 -40.58 83.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.868 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 3.1 mtt -56.63 -49.12 75.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.796 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -61.72 -27.81 68.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.902 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.29 154.78 30.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.909 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.89 -46.94 3.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.946 0.403 . . . . 0.0 110.923 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 25.6 p30 -91.83 -19.55 22.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.077 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 67.11 62.61 0.47 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.906 0.384 . . . . 0.0 111.078 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -110.49 -26.34 9.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.105 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 125.05 0.87 8.14 Favored Glycine 0 CA--C 1.519 0.318 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.783 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.446 ' CD2' ' HB3' ' A' ' 149' ' ' ASP . 6.0 m-85 -150.29 154.02 37.15 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.711 0.291 . . . . 0.0 110.746 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.434 HG22 ' N ' ' A' ' 113' ' ' ASP . 6.0 mt -128.35 155.4 40.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.955 0.407 . . . . 0.0 111.11 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . 0.434 ' N ' HG22 ' A' ' 112' ' ' ILE . 6.1 t0 -134.64 179.07 6.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.853 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.68 -28.45 67.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.98 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -68.17 -60.98 2.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.838 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.65 ' HA ' HD12 ' A' ' 119' ' ' ILE . 9.0 mt-10 -61.26 -53.21 59.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.71 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.616 HD23 HG23 ' A' ' 133' ' ' ILE . 11.7 tp -49.21 -28.62 4.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.207 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 44.7 tttt -76.18 -29.64 57.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.9 179.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.65 HD12 ' HA ' ' A' ' 116' ' ' GLU . 22.4 mt -73.35 -51.14 26.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.203 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -56.71 -30.26 63.29 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.058 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 14.7 mt -67.37 -22.25 65.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.066 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 10.3 mm100 -61.32 -24.54 66.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.504 -0.317 . . . . 0.0 110.855 179.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -56.09 -47.44 78.03 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.961 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 16.6 p -62.55 174.88 0.88 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.59 179.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -114.03 21.48 15.63 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.594 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -107.76 124.77 50.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.876 0.369 . . . . 0.0 110.865 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 1.2 p -63.17 103.09 0.44 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.933 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.473 HG22 ' N ' ' A' ' 129' ' ' THR . 22.1 mm -95.05 159.03 2.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.142 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . 0.594 HG23 ' H ' ' A' ' 132' ' ' ASP . 9.0 t -117.75 165.95 13.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.447 ' HA ' HD12 ' A' ' 133' ' ' ILE . 45.9 mt-10 -64.83 -30.66 71.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.905 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -70.97 -31.25 67.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.816 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . 0.594 ' H ' HG23 ' A' ' 129' ' ' THR . 2.5 m-20 -68.64 -40.49 80.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.905 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.616 HG23 HD23 ' A' ' 117' ' ' LEU . 4.1 mt -73.77 -28.77 24.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.112 -179.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.78 -41.58 86.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.853 0.359 . . . . 0.0 111.107 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.64 -28.62 64.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.079 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.408 HD22 HD21 ' A' ' 117' ' ' LEU . 0.2 OUTLIER -61.93 -52.32 64.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.838 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 1.9 ttm -71.89 -25.8 62.08 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.046 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 7.6 tttt -53.11 -69.47 0.11 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.224 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 23.9 p-10 -68.66 -24.96 64.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.326 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -76.98 -5.07 84.36 Favored Glycine 0 CA--C 1.52 0.383 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.662 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 63.1 t0 -92.83 130.23 38.5 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.798 0.333 . . . . 0.0 110.849 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 13.6 mmmt -122.53 -31.74 3.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.293 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 30.4 m120 -97.1 20.32 11.51 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.115 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 7.4 p-10 42.7 32.02 0.35 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.72 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 19.9 p-10 -95.66 -26.52 15.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.602 179.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 98.44 19.26 23.56 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.882 -0.675 . . . . 0.0 112.633 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 11.4 mtt180 -139.93 -178.59 5.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.824 0.345 . . . . 0.0 110.733 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 25.4 mt -136.24 139.21 45.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.337 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . 0.446 ' HB3' ' CD2' ' A' ' 111' ' ' TYR . 3.0 p30 -137.13 167.33 21.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.777 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 150' ' ' TYR . . . . . 0.401 ' CE1' ' CA ' ' A' ' 98' ' ' SER . 20.2 t80 -57.33 -27.92 62.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.373 -179.623 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.86 -60.28 2.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.806 0.336 . . . . 0.0 111.073 -179.774 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -77.12 -12.93 60.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.456 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 153' ' ' PHE . . . . . 0.423 ' CZ ' ' HG3' ' A' ' 157' ' ' MET . 17.9 t80 -73.27 -33.16 65.1 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.883 0.373 . . . . 0.0 110.787 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.409 ' HA ' HD13 ' A' ' 154' ' ' LEU . 0.9 OUTLIER -62.78 -29.28 70.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.982 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -86.67 -29.73 22.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . 0.682 ' O ' HG13 ' A' ' 160' ' ' VAL . 13.4 t80 -73.3 -41.82 63.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.845 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 157' ' ' MET . . . . . 0.423 ' HG3' ' CZ ' ' A' ' 153' ' ' PHE . 0.8 OUTLIER -81.14 -1.52 44.83 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.212 179.804 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 11.0 tttt -90.66 50.41 1.81 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.914 0.387 . . . . 0.0 110.67 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 104.31 89.99 2.14 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.3 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . 0.682 HG13 ' O ' ' A' ' 156' ' ' PHE . 0.0 OUTLIER -107.97 -53.88 6.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.758 0.313 . . . . 0.0 111.066 -179.846 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.906 179.985 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 162' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 163' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.326 0 CA-C-O 120.859 0.361 . . . . 0.0 111.218 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.599 ' O ' HG22 ' A' ' 82' ' ' VAL . 12.9 p -115.53 44.22 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.858 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 14.3 ptt180 -101.15 175.35 5.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.979 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 13.3 p -63.04 135.4 57.24 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.948 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -105.18 -31.3 9.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 26.3 mttp -97.74 139.27 33.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.842 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 16.2 p-10 -95.15 162.99 13.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.968 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -99.22 -36.83 9.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.856 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 12.8 m -80.48 115.64 20.11 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.956 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.5 mtpp -110.12 127.73 55.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.83 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -76.85 99.9 1.42 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.407 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 31.7 mttt -61.71 84.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.9 0.381 . . . . 0.0 110.99 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.613 HG23 ' H ' ' A' ' 95' ' ' GLU . 11.8 t -88.65 -168.03 2.07 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.961 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -61.47 -33.14 73.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.613 ' H ' HG23 ' A' ' 93' ' ' THR . 0.2 OUTLIER -56.07 -28.96 59.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.885 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -91.01 17.79 7.52 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.403 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.543 HD22 ' CE2' ' A' ' 153' ' ' PHE . 13.4 mt -64.99 -18.94 65.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.637 -0.256 . . . . 0.0 111.17 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.1 p -73.11 -33.55 65.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.819 0.342 . . . . 0.0 110.993 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -59.09 -42.11 89.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.819 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.483 HD23 ' HG3' ' A' ' 103' ' ' MET . 11.3 mt -78.5 -17.32 56.41 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.175 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.435 ' CZ ' ' HA ' ' A' ' 149' ' ' ASP . 67.9 t80 -58.52 -43.97 89.37 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.812 0.339 . . . . 0.0 111.168 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.23 -31.01 69.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.837 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . 0.483 ' HG3' HD23 ' A' ' 100' ' ' LEU . 13.3 mmm -63.69 -20.63 65.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.228 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.531 ' HB3' HD13 ' A' ' 112' ' ' ILE . 0.4 OUTLIER -94.09 -21.95 18.8 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.157 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -79.63 146.95 32.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.016 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.796 ' CD ' HG21 ' A' ' 119' ' ' ILE . 0.1 OUTLIER -99.03 -37.95 9.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.953 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 38.0 p-10 -107.13 -8.89 16.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.333 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 64.5 66.29 0.61 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.886 0.374 . . . . 0.0 111.107 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -111.4 -29.42 7.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.971 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 125.19 -3.65 8.34 Favored Glycine 0 CA--C 1.519 0.303 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.794 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.442 ' CD2' ' HB3' ' A' ' 149' ' ' ASP . 6.2 m-85 -147.22 152.58 38.6 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.722 0.296 . . . . 0.0 110.822 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.531 HD13 ' HB3' ' A' ' 104' ' ' PHE . 2.6 mt -127.51 152.1 35.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.117 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 23.7 p-10 -137.59 -173.64 3.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.961 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 6.6 tp -57.95 -35.02 70.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.993 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.84 -56.89 10.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.837 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.34 -45.26 84.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.913 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.441 HD21 ' HB3' ' A' ' 136' ' ' LEU . 25.5 tp -55.08 -29.25 57.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.02 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.41 -28.72 64.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.838 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.796 HG21 ' CD ' ' A' ' 106' ' ' LYS . 28.0 mm -71.18 -25.46 25.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.235 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 5.4 tmm? -82.21 -32.5 29.79 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.063 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.741 HD12 HG13 ' A' ' 128' ' ' ILE . 3.4 mm? -73.4 -30.61 63.38 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.16 -179.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -69.57 -39.62 77.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.001 0.429 . . . . 0.0 110.524 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -52.03 -43.38 63.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.95 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.25 178.74 0.25 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.356 179.594 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -112.74 17.59 22.86 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.524 -0.846 . . . . 0.0 112.733 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -107.07 124.27 49.42 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.815 0.341 . . . . 0.0 110.865 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 81.5 p -65.21 104.14 0.88 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.292 -179.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.741 HG13 HD12 ' A' ' 121' ' ' LEU . 42.4 mm -105.89 158.0 6.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.828 179.624 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . 0.496 ' N ' HG22 ' A' ' 128' ' ' ILE . 0.7 OUTLIER -101.68 158.2 16.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.902 179.84 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.19 -30.23 67.3 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.81 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -76.55 -27.83 56.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.063 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.16 -40.91 74.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.882 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 15.9 mt -69.49 -21.12 24.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.287 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -59.05 -35.72 73.81 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.882 0.372 . . . . 0.0 110.956 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -82.63 -19.51 38.14 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.207 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.441 ' HB3' HD21 ' A' ' 117' ' ' LEU . 0.1 OUTLIER -59.69 -46.76 88.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.777 0.322 . . . . 0.0 110.981 -179.939 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.9 -23.7 55.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.31 -179.823 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 20.9 mttt -55.99 -67.82 0.26 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.209 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 24.3 p-10 -57.5 -21.2 36.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.628 -179.696 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . 0.433 ' HA2' ' CG ' ' A' ' 156' ' ' PHE . . . -80.22 -44.24 9.0 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.528 -0.844 . . . . 0.0 112.271 179.798 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -68.39 127.27 32.35 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-O 120.801 0.334 . . . . 0.0 110.977 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 3.9 mmmp? -103.31 -18.87 14.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.173 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 23.8 p30 -102.11 -21.24 14.46 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.82 0.343 . . . . 0.0 110.888 179.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 1.5 t30 75.7 56.97 0.06 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.278 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -108.44 -32.52 7.39 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.122 179.087 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 118.16 13.85 6.84 Favored Glycine 0 N--CA 1.451 -0.307 0 CA-C-N 115.768 -0.651 . . . . 0.0 112.836 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 19.8 mtt85 -144.51 -170.82 3.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.871 0.367 . . . . 0.0 110.817 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 33.4 mt -148.79 138.92 16.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.108 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . 0.442 ' HB3' ' CD2' ' A' ' 111' ' ' TYR . 51.1 p30 -134.22 170.71 15.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.814 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 41.2 t80 -59.89 -24.08 63.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.205 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -69.83 -63.22 1.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.916 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -70.55 -25.52 63.13 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.144 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 153' ' ' PHE . . . . . 0.543 ' CE2' HD22 ' A' ' 97' ' ' LEU . 19.8 t80 -62.37 -30.65 71.34 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.761 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.23 -28.33 69.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.917 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -87.8 -31.98 19.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.007 0.432 . . . . 0.0 110.766 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . 0.486 ' CE1' HG11 ' A' ' 160' ' ' VAL . 14.3 t80 -65.35 -26.46 68.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.022 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -97.31 14.38 26.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.27 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.65 35.14 0.96 Allowed 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 116.548 -0.297 . . . . 0.0 111.277 -179.654 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 104.24 80.97 1.46 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.75 179.7 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . 0.486 HG11 ' CE1' ' A' ' 156' ' ' PHE . 0.7 OUTLIER -114.36 -36.38 2.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.746 0.307 . . . . 0.0 111.16 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.978 179.999 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 162' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 163' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.778 0.323 . . . . 0.0 111.219 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 19.9 t 69.0 -67.35 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.191 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.29 83.39 5.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.952 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -174.18 113.45 0.18 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.89 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 61.42 112.77 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.61 95.34 1.08 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.879 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -72.43 89.23 1.24 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.951 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.1 p30 -105.5 173.42 6.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.961 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 83.6 p -99.11 36.42 1.72 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.935 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.24 126.97 35.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -87.27 -175.72 48.86 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.583 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 33.7 mttm -53.01 115.7 1.99 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.777 0.322 . . . . 0.0 111.095 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.714 HG23 ' H ' ' A' ' 95' ' ' GLU . 11.1 t -100.5 -167.63 1.47 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.906 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.41 -28.81 67.27 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.816 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.714 ' H ' HG23 ' A' ' 93' ' ' THR . 6.6 tt0 -57.62 -26.74 62.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.932 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -91.37 18.18 7.5 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.427 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 20.4 mt -76.09 -25.47 55.53 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.106 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -67.12 -36.23 81.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.016 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.98 -40.19 78.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 4.7 mt -67.31 -27.55 67.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.009 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.44 ' CZ ' ' HA ' ' A' ' 149' ' ' ASP . 75.9 t80 -58.31 -43.34 88.09 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.02 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 7.9 mtt85 -57.82 -37.54 74.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.945 0.402 . . . . 0.0 111.029 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 4.3 mmt -62.87 -18.79 63.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.18 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -102.98 -25.39 13.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.054 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.4 ' HA ' HG12 ' A' ' 112' ' ' ILE . 6.4 t0 -96.5 93.26 6.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.898 0.38 . . . . 0.0 111.057 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 45.0 mmtm -55.57 -46.1 77.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.943 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -70.2 -30.98 68.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.989 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 62.45 53.83 2.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.161 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -110.91 -19.86 12.65 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.18 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 125.09 -10.42 7.82 Favored Glycine 0 C--N 1.331 0.269 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.785 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.435 ' CD2' ' HB3' ' A' ' 149' ' ' ASP . 1.8 m-85 -145.89 150.8 36.79 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.737 0.304 . . . . 0.0 110.774 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.4 HG12 ' HA ' ' A' ' 105' ' ' ASP . 1.3 mp -127.56 154.93 38.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.01 179.754 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 18.6 p30 -136.4 -176.65 4.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.902 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.474 ' H ' HD12 ' A' ' 114' ' ' LEU . 3.7 mp -58.61 -28.24 65.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.09 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.17 -59.75 2.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.008 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.78 -54.88 32.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.564 HD21 HD22 ' A' ' 136' ' ' LEU . 4.3 tp -51.09 -27.53 8.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.251 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.91 -35.03 70.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.923 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 7.9 mt -68.76 -36.9 76.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.096 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 6.2 tmm? -60.38 -34.41 73.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.784 HD13 HG12 ' A' ' 133' ' ' ILE . 0.2 OUTLIER -73.25 -30.95 63.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.89 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 58.9 mm-40 -60.15 -26.82 66.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.828 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -55.67 -44.53 77.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.075 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 16.3 p -69.01 169.07 12.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.639 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -112.2 23.81 15.48 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.551 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -108.14 126.27 52.58 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.789 0.328 . . . . 0.0 110.773 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 62.5 p -58.57 109.97 0.9 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.051 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.558 HG21 HD22 ' A' ' 121' ' ' LEU . 17.4 mm -104.42 157.71 5.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.076 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . 0.447 ' N ' HG22 ' A' ' 128' ' ' ILE . 2.2 p -106.2 158.28 16.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.832 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.639 ' HA ' HD12 ' A' ' 133' ' ' ILE . 2.0 mt-10 -59.66 -30.3 68.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -72.59 -31.58 65.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.95 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.36 -41.05 98.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.784 HG12 HD13 ' A' ' 121' ' ' LEU . 2.8 mt -68.93 -28.31 39.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.202 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -66.34 -41.63 89.32 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.978 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -72.4 -29.69 63.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.091 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.564 HD22 HD21 ' A' ' 117' ' ' LEU . 0.2 OUTLIER -59.32 -49.09 79.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.981 -179.933 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . 0.51 ' CG ' HD22 ' A' ' 117' ' ' LEU . 0.8 OUTLIER -77.91 -23.66 48.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.232 -179.941 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 4.8 tttt -55.6 -67.89 0.25 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.199 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 28.1 p-10 -60.51 -18.38 51.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.56 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -84.65 -42.63 7.21 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.461 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -78.93 133.98 36.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.883 0.373 . . . . 0.0 110.988 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 46.0 mmtt -119.96 -4.19 10.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.308 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -96.65 -7.2 34.79 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.64 0.257 . . . . 0.0 111.314 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 28.9 t30 67.31 26.22 8.58 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.705 0.288 . . . . 0.0 111.251 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -98.03 -21.88 16.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.812 179.614 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 92.5 27.7 14.48 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.842 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 5.5 mtt180 -142.48 179.64 6.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.787 0.327 . . . . 0.0 111.096 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . 0.571 HG23 ' HB2' ' A' ' 152' ' ' GLU . 44.4 mt -145.82 134.51 16.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.075 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . 0.44 ' HA ' ' CZ ' ' A' ' 101' ' ' PHE . 4.6 p30 -134.29 -171.46 2.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.79 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 150' ' ' TYR . . . . . 0.68 ' O ' HD13 ' A' ' 154' ' ' LEU . 23.5 t80 -54.75 -27.04 38.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.234 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -80.49 -47.21 14.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.938 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . 0.571 ' HB2' HG23 ' A' ' 148' ' ' ILE . 30.8 mm-40 -72.7 -17.33 61.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.208 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 153' ' ' PHE . . . . . 0.442 ' CE1' ' HG3' ' A' ' 157' ' ' MET . 1.5 t80 -86.21 -33.36 20.78 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 120.892 0.377 . . . . 0.0 110.827 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.68 HD13 ' O ' ' A' ' 150' ' ' TYR . 7.5 mp -75.84 -34.34 60.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.781 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -78.8 -41.3 30.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.675 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . 0.721 ' O ' HG22 ' A' ' 160' ' ' VAL . 37.5 t80 -68.72 -27.23 65.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.702 179.814 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 157' ' ' MET . . . . . 0.442 ' HG3' ' CE1' ' A' ' 153' ' ' PHE . 30.3 mmt -89.62 4.76 48.39 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.32 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 5.2 tttp -88.8 42.42 1.08 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.72 0.295 . . . . 0.0 111.271 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 103.98 75.49 1.05 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.453 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . 0.721 HG22 ' O ' ' A' ' 156' ' ' PHE . 2.4 t -74.98 -61.06 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.829 0.347 . . . . 0.0 111.025 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.896 -179.893 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 162' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 163' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 2.4 mmm . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.81 0.338 . . . . 0.0 111.186 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 21.3 t 64.25 97.04 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.083 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.1 ptm180 -98.26 173.51 6.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.975 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 60.43 20.28 9.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.173 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER 53.03 -168.53 0.05 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.845 0.355 . . . . 0.0 111.003 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -147.19 163.82 35.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.975 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -74.27 72.67 1.78 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.782 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -99.4 115.65 29.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.854 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 11.3 t -53.46 101.43 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.165 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.45 -165.4 1.11 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.624 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -70.54 65.61 0.8 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.332 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.406 ' CB ' ' HB3' ' A' ' 96' ' ' GLU . 22.4 mmtt -60.92 145.95 48.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.973 0.415 . . . . 0.0 111.102 -179.792 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -102.6 -78.87 0.53 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.987 -179.642 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -80.18 -28.85 38.67 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.621 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -79.44 -9.7 59.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.846 179.487 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.406 ' HB3' ' CB ' ' A' ' 92' ' ' LYS . 0.4 OUTLIER -86.17 -24.79 26.01 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.193 -179.898 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.531 HD22 ' HG3' ' A' ' 157' ' ' MET . 96.0 mt -55.16 -23.55 22.09 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.333 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.408 ' HA ' ' CE1' ' A' ' 150' ' ' TYR . 44.6 p -68.64 -40.45 80.27 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.801 0.334 . . . . 0.0 111.029 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -70.16 -31.48 68.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.023 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.43 -29.95 67.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.068 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.43 ' CE1' ' HA ' ' A' ' 149' ' ' ASP . 74.8 t80 -58.31 -55.94 28.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.907 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -57.42 -31.59 66.03 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.772 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 5.9 mmt -63.87 -22.5 66.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.003 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.761 ' HB3' HD13 ' A' ' 112' ' ' ILE . 5.4 m-85 -92.85 -23.19 18.9 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.983 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.32 140.98 40.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.864 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.59 -38.21 10.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.835 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 7.6 p-10 -111.92 -13.33 13.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.236 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 67.05 69.46 0.39 Allowed 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.814 0.34 . . . . 0.0 111.066 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -111.63 -2.93 15.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.498 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 102.25 -9.91 56.38 Favored Glycine 0 CA--C 1.519 0.296 0 C-N-CA 120.532 -0.842 . . . . 0.0 112.79 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.43 ' CD2' ' HB3' ' A' ' 149' ' ' ASP . 58.1 m-85 -147.64 155.27 41.61 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.744 0.306 . . . . 0.0 110.79 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.761 HD13 ' HB3' ' A' ' 104' ' ' PHE . 12.1 mt -127.84 151.36 34.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.913 0.387 . . . . 0.0 111.226 179.773 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -132.96 -176.53 4.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.881 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.545 HD21 ' HA ' ' A' ' 134' ' ' GLU . 0.1 OUTLIER -58.92 -31.17 68.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 -179.921 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.96 -59.93 2.89 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.423 ' HA ' HD12 ' A' ' 119' ' ' ILE . 18.1 mp0 -59.73 -45.27 92.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.467 HD21 ' HB3' ' A' ' 136' ' ' LEU . 59.7 tp -58.62 -30.39 67.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.006 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.598 ' HG3' HD13 ' A' ' 133' ' ' ILE . 0.0 OUTLIER -62.95 -46.33 88.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 179.942 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.423 HD12 ' HA ' ' A' ' 116' ' ' GLU . 3.9 mt -69.02 -27.68 36.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.159 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 3.3 tmm? -63.69 -54.32 37.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.826 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.644 HD23 HD13 ' A' ' 128' ' ' ILE . 10.4 mp -63.94 -22.59 66.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.209 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -64.01 -24.47 67.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.76 0.314 . . . . 0.0 110.785 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -56.76 -47.0 81.1 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.999 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 30.2 p -58.74 174.88 0.3 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.572 179.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -114.44 24.16 11.6 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.565 -0.826 . . . . 0.0 112.498 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -96.18 -169.37 1.91 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.838 0.351 . . . . 0.0 110.911 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 1.8 p -119.98 102.76 8.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.899 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.644 HD13 HD23 ' A' ' 121' ' ' LEU . 4.7 mt -112.72 145.39 18.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.161 -179.8 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.85 160.32 14.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.813 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.589 ' HA ' HD12 ' A' ' 133' ' ' ILE . 0.5 OUTLIER -62.26 -30.51 71.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.923 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -75.35 -31.15 60.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.85 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -64.86 -36.47 84.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.598 HD13 ' HG3' ' A' ' 118' ' ' LYS . 4.3 mt -73.05 -23.39 20.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.365 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.545 ' HA ' HD21 ' A' ' 114' ' ' LEU . 0.3 OUTLIER -62.26 -47.66 83.39 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.975 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -66.65 -23.98 66.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.192 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.467 ' HB3' HD21 ' A' ' 117' ' ' LEU . 0.2 OUTLIER -61.06 -54.13 48.62 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.915 -179.891 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 9.1 ttm -73.66 -26.91 60.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.163 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 54.7 mttt -54.84 -67.89 0.23 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.26 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 29.1 p-10 -58.84 -20.06 47.18 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.465 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -83.58 -42.61 7.73 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.53 -0.843 . . . . 0.0 112.26 179.724 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 49.6 t0 -63.41 115.5 4.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.845 0.355 . . . . 0.0 110.901 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -108.51 -25.25 11.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.931 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -83.44 -17.9 40.51 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.96 179.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 71.1 31.46 2.47 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.144 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 45.0 p-10 -94.94 -28.58 15.1 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.332 179.343 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 111.9 16.13 9.46 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.991 -0.623 . . . . 0.0 112.921 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 2.9 ptt180 -149.25 -175.51 5.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.824 0.345 . . . . 0.0 110.998 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 44.0 mt -134.98 148.0 29.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.31 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . 0.43 ' HA ' ' CE1' ' A' ' 101' ' ' PHE . 2.5 p30 -140.64 168.22 20.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.678 179.703 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 150' ' ' TYR . . . . . 0.666 ' O ' HD23 ' A' ' 154' ' ' LEU . 28.4 t80 -60.39 -26.03 66.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.568 -179.561 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.7 -61.88 1.61 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.866 0.365 . . . . 0.0 110.992 -179.761 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -69.43 -26.55 64.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.212 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 25.0 t80 -57.94 -31.3 66.69 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.789 0.328 . . . . 0.0 110.879 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.666 HD23 ' O ' ' A' ' 150' ' ' TYR . 3.0 mm? -65.69 -27.77 68.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.037 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -80.53 -38.98 28.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.874 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . 0.761 ' O ' HG22 ' A' ' 160' ' ' VAL . 42.9 t80 -71.02 -11.22 60.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.167 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 157' ' ' MET . . . . . 0.531 ' HG3' HD22 ' A' ' 97' ' ' LEU . 4.4 mmt -103.86 5.8 36.08 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.603 -0.271 . . . . 0.0 111.422 179.802 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.59 42.9 1.12 Allowed 'General case' 0 CA--C 1.528 0.122 0 CA-C-O 120.826 0.346 . . . . 0.0 110.982 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 104.78 79.1 1.28 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.442 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . 0.761 HG22 ' O ' ' A' ' 156' ' ' PHE . 2.7 t -81.09 -61.84 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.883 0.373 . . . . 0.0 111.159 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 5.6 pm0 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.893 179.982 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 162' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 163' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.788 0.328 . . . . 0.0 111.113 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 12.0 p -114.97 135.98 53.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.084 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.8 ttp180 -155.12 104.12 2.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.943 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 6.8 m 60.09 70.17 0.65 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.969 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 2.1 ttt -154.68 79.44 1.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.937 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -98.63 158.37 15.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.79 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -99.05 31.37 3.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.848 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 14.8 p-10 -83.62 66.36 8.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.86 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -85.98 54.77 3.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.989 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.02 103.55 16.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.84 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -70.71 162.18 53.73 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.405 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 4.3 mttm -72.87 61.55 0.56 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.795 0.331 . . . . 0.0 111.1 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.429 ' O ' ' HG2' ' A' ' 96' ' ' GLU . 53.4 m -102.63 -87.25 0.42 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.801 -179.704 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -83.56 -31.94 26.09 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-O 120.941 0.401 . . . . 0.0 110.774 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -69.07 -28.56 66.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.978 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.429 ' HG2' ' O ' ' A' ' 93' ' ' THR . 3.2 pt-20 -74.59 -25.2 59.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.057 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.467 HD22 ' HG3' ' A' ' 157' ' ' MET . 80.9 mt -52.87 -27.7 19.7 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.319 -179.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.1 p -77.75 -41.48 37.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.904 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.68 -35.22 67.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 4.7 mt -73.66 -20.82 60.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.171 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -61.81 -47.15 86.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.969 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.03 -30.96 69.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.897 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.11 -21.94 66.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.067 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -92.23 -25.98 18.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.004 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.03 153.59 39.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.921 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.466 ' HG2' HD13 ' A' ' 119' ' ' ILE . 0.1 OUTLIER -99.66 -41.95 7.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.924 179.922 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 13.7 p30 -104.4 -8.11 19.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.383 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 62.8 67.33 0.7 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.924 0.393 . . . . 0.0 111.112 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -111.37 -29.53 7.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.959 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 125.05 -0.47 8.3 Favored Glycine 0 CA--C 1.519 0.316 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.817 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.443 ' CD2' ' HB3' ' A' ' 149' ' ' ASP . 22.6 m-85 -147.32 153.79 40.14 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.773 0.321 . . . . 0.0 110.783 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 1.7 mt -127.67 149.79 32.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.957 0.408 . . . . 0.0 111.045 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 37.7 p30 -135.97 -175.23 3.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.917 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.428 HD11 ' HG3' ' A' ' 134' ' ' GLU . 0.2 OUTLIER -59.12 -29.59 67.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.918 179.879 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.71 -60.49 2.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.783 ' HA ' HD12 ' A' ' 119' ' ' ILE . 4.3 mt-10 -60.76 -48.47 81.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.803 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 15.4 tp -54.27 -29.58 47.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.029 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 1.6 tttt -62.62 -36.51 82.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.794 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.783 HD12 ' HA ' ' A' ' 116' ' ' GLU . 3.9 mt -71.32 -39.07 71.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.938 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 2.8 tmm? -60.66 -31.9 71.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.936 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.543 HD12 HG13 ' A' ' 128' ' ' ILE . 3.9 mm? -75.66 -28.55 58.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.924 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -58.4 -25.04 61.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.805 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -55.16 -43.58 74.37 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.954 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 26.7 p -61.23 158.93 13.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.671 179.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -77.29 -51.37 6.15 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.564 -0.826 . . . . 0.0 112.309 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -53.66 172.79 0.06 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.996 0.427 . . . . 0.0 111.289 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 43.6 p -103.51 126.24 50.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.022 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.543 HG13 HD12 ' A' ' 121' ' ' LEU . 21.2 mm -101.89 161.04 3.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.928 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . 0.654 HG23 ' H ' ' A' ' 132' ' ' ASP . 3.8 t -114.99 163.87 14.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.954 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.81 -30.33 70.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.098 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -66.3 -46.45 76.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.041 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . 0.654 ' H ' HG23 ' A' ' 129' ' ' THR . 3.3 m-20 -59.18 -48.39 81.8 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.994 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.469 HD12 ' O ' ' A' ' 129' ' ' THR . 4.3 mt -63.97 -25.36 37.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.253 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.428 ' HG3' HD11 ' A' ' 114' ' ' LEU . 2.0 mt-10 -69.2 -35.68 76.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.07 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -82.73 -28.62 30.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.076 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 1.1 tp -56.63 -46.99 80.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.052 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 27.8 ttm -74.95 -18.54 60.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.281 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.25 -66.37 0.47 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.248 -179.737 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 27.1 p-10 -56.66 -21.09 24.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.664 -179.62 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -91.86 -25.89 21.2 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.568 -0.825 . . . . 0.0 112.489 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -77.95 93.39 4.42 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.82 0.343 . . . . 0.0 111.022 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 16.2 mmtt -91.47 -25.29 19.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.978 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -84.92 -18.72 33.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.105 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 7.5 t30 67.77 30.36 6.39 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.873 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 22.1 p-10 -101.94 14.76 31.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.181 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 65.98 21.66 69.85 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.698 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 46.1 mtt180 -157.06 159.68 38.18 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.895 0.379 . . . . 0.0 110.994 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 21.2 mt -117.93 144.7 25.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.14 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . 0.443 ' HB3' ' CD2' ' A' ' 111' ' ' TYR . 2.2 p30 -134.24 167.74 20.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.738 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 150' ' ' TYR . . . . . 0.461 ' O ' ' HG ' ' A' ' 154' ' ' LEU . 63.4 t80 -59.92 -26.43 65.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.37 -179.732 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.81 -62.05 1.54 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.811 0.339 . . . . 0.0 111.212 -179.686 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -69.34 -22.12 63.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.021 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 153' ' ' PHE . . . . . 0.454 ' CZ ' ' CG ' ' A' ' 157' ' ' MET . 19.4 t80 -66.54 -30.89 71.31 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.793 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' A' ' 150' ' ' TYR . 11.7 mt -57.75 -30.17 65.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.047 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -86.75 -28.38 23.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.999 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . 0.827 ' O ' HG22 ' A' ' 160' ' ' VAL . 17.9 t80 -76.45 -36.19 58.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.827 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 157' ' ' MET . . . . . 0.467 ' HG3' HD22 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -82.47 -2.07 52.22 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.367 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 5.9 tttt -89.6 49.96 1.83 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.821 0.344 . . . . 0.0 110.994 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 103.99 76.93 1.14 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.377 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . 0.827 HG22 ' O ' ' A' ' 156' ' ' PHE . 4.4 t -82.57 -56.48 5.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.847 0.356 . . . . 0.0 110.947 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.913 -179.991 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 162' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 163' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.453 ' HG3' HG13 ' A' ' 82' ' ' VAL . 17.9 ptp . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.914 0.387 . . . . 0.0 111.188 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.453 HG13 ' HG3' ' A' ' 81' ' ' MET . 5.8 m -109.09 -34.93 2.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.031 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.6 ttt85 -85.97 163.0 18.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -153.74 -172.95 4.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 39.3 mtt -72.51 -64.27 0.99 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.948 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.2 mttt 61.19 103.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.91 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -86.96 79.59 8.7 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.864 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -104.5 -42.85 5.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.844 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -101.84 133.27 46.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.862 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.29 102.11 12.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.941 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -109.88 62.81 0.28 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.483 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.415 ' CB ' ' HB3' ' A' ' 96' ' ' GLU . 0.0 OUTLIER -103.06 138.75 39.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.86 0.362 . . . . 0.0 111.013 -179.878 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 57.1 p -101.65 -76.51 0.57 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.926 -179.684 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -77.2 -44.95 28.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.583 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -60.44 -23.4 64.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.659 179.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.415 ' HB3' ' CB ' ' A' ' 92' ' ' LYS . 0.2 OUTLIER -75.86 -14.92 60.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.276 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 55.4 mt -52.42 -24.04 7.11 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.565 -179.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.5 t -62.29 -46.12 90.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.855 0.359 . . . . 0.0 110.87 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -63.98 -31.98 73.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.82 -27.68 62.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.006 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.429 ' CZ ' ' HA ' ' A' ' 149' ' ' ASP . 47.6 t80 -59.97 -54.27 48.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.054 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 1.2 mtp85 -56.59 -35.11 67.86 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.806 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 18.0 mmm -59.75 -23.26 63.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.958 179.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.439 ' HB3' HD13 ' A' ' 112' ' ' ILE . 9.5 m-85 -94.11 -20.33 20.0 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.039 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -84.5 149.07 26.18 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.793 0.33 . . . . 0.0 110.888 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.445 ' HG3' HD12 ' A' ' 119' ' ' ILE . 1.4 mmtm -99.31 -33.81 10.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.873 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.402 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 12.2 p-10 -106.86 -18.32 13.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.191 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.402 ' HB3' ' O ' ' A' ' 107' ' ' ASN . . . 66.82 63.6 0.48 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.856 0.36 . . . . 0.0 111.049 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -108.7 -25.81 10.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.932 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 125.21 -8.14 8.0 Favored Glycine 0 CA--C 1.518 0.268 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.781 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.438 ' CD2' ' HB3' ' A' ' 149' ' ' ASP . 13.9 m-85 -143.21 145.96 33.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.831 0.348 . . . . 0.0 110.781 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.481 HG22 ' N ' ' A' ' 113' ' ' ASP . 4.6 mt -128.29 158.1 40.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.147 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . 0.481 ' N ' HG22 ' A' ' 112' ' ' ILE . 2.7 p30 -138.88 -176.87 4.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.848 -179.819 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 5.5 tt -62.01 -27.65 69.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.03 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -67.4 -59.26 3.54 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.88 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -62.86 -49.95 72.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.954 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.786 HD22 ' SD ' ' A' ' 137' ' ' MET . 22.3 tp -52.57 -24.76 8.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.359 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 9.7 tttp -76.23 -25.54 55.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.995 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.445 HD12 ' HG3' ' A' ' 106' ' ' LYS . 30.4 mt -76.26 -33.55 24.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.749 -179.488 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -82.59 -35.98 26.6 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 111.692 0.256 . . . . 0.0 111.692 -179.314 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.671 HD12 ' N ' ' A' ' 122' ' ' GLN . 4.6 pp -76.8 -33.15 58.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.543 0.211 . . . . 0.0 111.465 -179.51 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . 0.671 ' N ' HD12 ' A' ' 121' ' ' LEU . 3.9 pt20 -63.18 -41.04 99.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.072 0.463 . . . . 0.0 110.525 179.787 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.404 ' N ' ' HG3' ' A' ' 122' ' ' GLN . . . -48.5 -31.8 6.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.242 179.793 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 26.2 p -56.79 -176.71 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.57 179.652 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -114.32 17.97 18.59 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.667 -0.777 . . . . 0.0 112.64 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -101.56 -169.02 1.63 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.696 0.284 . . . . 0.0 110.791 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 68.2 p -119.76 108.96 15.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.817 0.342 . . . . 0.0 110.944 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.471 HG13 HD13 ' A' ' 121' ' ' LEU . 21.5 mm -104.71 141.13 20.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.039 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 67.8 p -105.05 154.72 19.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.938 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -58.94 -30.9 68.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.847 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -75.1 -32.88 61.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.897 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -67.54 -42.73 82.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.029 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.439 HD13 HD21 ' A' ' 121' ' ' LEU . 19.0 mt -66.29 -26.37 37.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.365 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -72.05 -31.18 65.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -80.56 -30.49 37.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.999 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.521 HD22 HD21 ' A' ' 117' ' ' LEU . 0.2 OUTLIER -59.2 -49.07 79.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.986 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . 0.786 ' SD ' HD22 ' A' ' 117' ' ' LEU . 45.8 mmm -75.4 -23.02 57.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.159 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 4.4 tptt -56.79 -67.06 0.34 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.785 0.326 . . . . 0.0 111.112 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 29.1 p-10 -59.8 -19.25 49.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.627 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -86.94 -37.9 8.23 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.469 -0.872 . . . . 0.0 112.294 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -67.55 97.27 0.58 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.857 0.361 . . . . 0.0 110.926 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 6.8 mmtm -81.92 -23.9 35.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.962 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 19.0 p-10 -104.45 -7.95 19.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.156 179.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 10.5 m120 62.46 39.11 12.19 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-O 120.758 0.313 . . . . 0.0 111.162 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 50.0 p-10 -97.07 13.92 27.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.231 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 68.66 23.6 75.47 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.778 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 8.2 mtm-85 -157.19 -171.11 3.49 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.801 0.334 . . . . 0.0 111.039 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 47.1 mt -148.68 141.81 18.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.857 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . 0.438 ' HB3' ' CD2' ' A' ' 111' ' ' TYR . 4.5 p30 -134.44 169.91 16.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.005 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 150' ' ' TYR . . . . . 0.693 ' O ' HD23 ' A' ' 154' ' ' LEU . 48.7 t80 -60.03 -24.29 64.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.298 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.62 -61.08 1.97 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.93 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -74.08 -22.81 59.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.182 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 27.8 t80 -63.51 -35.09 79.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.814 0.34 . . . . 0.0 110.93 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.693 HD23 ' O ' ' A' ' 150' ' ' TYR . 2.9 mm? -64.54 -24.73 67.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.109 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -87.92 -36.09 17.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.879 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . 0.439 ' CD1' HG11 ' A' ' 160' ' ' VAL . 14.5 t80 -58.99 -34.95 72.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.8 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.44 15.63 17.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.092 179.721 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 8.0 tttp -92.03 34.25 1.02 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.269 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 100.21 80.46 1.52 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.563 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . 0.439 HG11 ' CD1' ' A' ' 156' ' ' PHE . 0.8 OUTLIER -112.84 -35.25 2.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.834 0.35 . . . . 0.0 111.192 179.883 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 162' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 163' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 6.7 mtt . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.817 0.341 . . . . 0.0 111.231 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 21.4 t 63.37 99.54 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.154 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -112.22 -64.12 1.34 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 1.7 m -118.77 158.54 25.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.943 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -168.48 33.83 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.841 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 51.2 tttt -122.01 -43.87 2.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.963 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -59.82 -29.29 68.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.948 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -60.07 -73.0 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.894 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.59 154.43 22.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.916 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 11.8 pttt -118.81 137.65 53.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.964 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -70.15 141.21 33.85 Favored Glycine 0 N--CA 1.453 -0.214 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.21 179.763 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -70.42 52.02 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.773 0.321 . . . . 0.0 111.822 -179.356 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 16.4 p -100.55 -164.01 1.08 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.614 -0.266 . . . . 0.0 110.496 179.692 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -51.53 -26.06 7.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.842 0.353 . . . . 0.0 110.962 179.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -60.33 -30.06 69.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.058 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -91.07 20.63 4.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.475 -179.814 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 14.3 mt -75.68 -30.7 59.47 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.811 0.339 . . . . 0.0 110.9 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 42.6 t -60.5 -31.96 70.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.0 -35.78 72.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.949 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' A' ' 100' ' ' LEU . 14.7 mt -67.36 -29.12 68.58 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.945 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -58.65 -50.78 72.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.964 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 25.1 mtt180 -59.44 -31.5 69.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.949 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -67.27 -20.5 65.65 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.067 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.524 ' HB3' HD13 ' A' ' 112' ' ' ILE . 6.6 m-85 -91.28 -27.87 18.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.721 0.296 . . . . 0.0 110.972 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.46 152.3 39.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.877 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 2.8 tptt -95.92 -40.05 9.49 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.013 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 12.2 p-10 -120.15 3.14 10.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.554 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 58.07 73.67 0.46 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.911 0.386 . . . . 0.0 111.1 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -111.7 -12.15 13.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.346 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 108.83 -8.82 34.17 Favored Glycine 0 C--N 1.332 0.324 0 C-N-CA 120.615 -0.802 . . . . 0.0 112.726 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.427 ' CD2' ' HB3' ' A' ' 149' ' ' ASP . 19.4 m-85 -151.09 156.51 41.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.798 0.332 . . . . 0.0 110.593 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.524 HD13 ' HB3' ' A' ' 104' ' ' PHE . 15.9 mt -128.12 155.81 39.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.188 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . 0.434 ' N ' HG22 ' A' ' 112' ' ' ILE . 2.5 t0 -139.05 -169.15 2.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.971 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.428 HD13 ' HA ' ' A' ' 114' ' ' LEU . 4.0 mm? -64.63 -38.43 90.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.11 -179.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -61.24 -53.1 61.18 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.991 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -64.95 -55.79 17.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.915 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.63 HD22 ' HG2' ' A' ' 137' ' ' MET . 27.2 tp -51.64 -27.9 12.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.254 -179.826 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 16.6 tttm -72.22 -35.16 68.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.943 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 19.5 mt -74.93 -32.12 26.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.15 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 6.6 tmm? -67.67 -39.79 84.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.99 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.403 HD13 HG23 ' A' ' 133' ' ' ILE . 0.9 OUTLIER -71.84 -19.92 61.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.229 -179.877 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -65.3 -25.77 67.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.699 0.285 . . . . 0.0 110.828 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -56.26 -46.08 79.82 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.076 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 16.0 p -56.61 175.13 0.12 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.776 179.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -114.15 21.36 15.5 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.627 -0.797 . . . . 0.0 112.574 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -108.07 128.85 55.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.819 0.343 . . . . 0.0 110.754 -179.771 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 49.3 p -63.78 98.54 0.2 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.082 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.512 HG22 ' N ' ' A' ' 129' ' ' THR . 27.9 mm -99.08 160.23 3.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.87 179.814 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . 0.512 ' N ' HG22 ' A' ' 128' ' ' ILE . 0.7 OUTLIER -109.33 155.38 21.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.851 179.87 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.469 ' HA ' HD12 ' A' ' 133' ' ' ILE . 2.2 pt-20 -59.17 -29.81 67.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.909 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -72.46 -31.47 65.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.928 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.81 -46.79 74.11 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.967 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.469 HD12 ' HA ' ' A' ' 130' ' ' GLU . 5.0 mt -62.84 -19.36 23.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.438 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -72.14 -30.21 64.8 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.799 0.333 . . . . 0.0 110.983 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -65.31 -37.37 86.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.846 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 1.3 mt -59.65 -49.22 78.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.826 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . 0.63 ' HG2' HD22 ' A' ' 117' ' ' LEU . 0.1 OUTLIER -67.31 -28.02 67.65 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.966 -179.941 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -58.0 -71.46 0.11 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.091 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . 0.404 ' OD1' ' N ' ' A' ' 140' ' ' GLY . 30.1 p-10 -60.1 -22.12 62.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.427 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . 0.404 ' N ' ' OD1' ' A' ' 139' ' ' ASP . . . -78.23 -24.9 62.63 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.386 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 29.8 t0 -87.14 132.4 33.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.788 0.328 . . . . 0.0 110.896 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 3.1 mmtm -109.11 -26.14 10.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.024 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 20.1 p-10 -106.9 1.66 24.78 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.286 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 3.2 t30 61.85 20.73 11.7 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.284 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 20.9 p-10 -63.71 -39.61 94.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.991 0.424 . . . . 0.0 110.279 179.428 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 114.23 19.12 6.41 Favored Glycine 0 CA--C 1.518 0.243 0 C-N-CA 120.856 -0.687 . . . . 0.0 112.576 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 9.3 mtt-85 -154.23 172.47 17.57 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.811 0.338 . . . . 0.0 110.792 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 27.8 mm -126.55 141.13 46.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.134 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . 0.427 ' HB3' ' CD2' ' A' ' 111' ' ' TYR . 2.1 p30 -134.4 -176.13 4.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.021 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 150' ' ' TYR . . . . . 0.494 ' O ' HD23 ' A' ' 154' ' ' LEU . 62.3 t80 -66.02 -29.7 70.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.291 -179.654 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -77.94 -44.94 25.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.812 0.339 . . . . 0.0 111.001 -179.841 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -76.57 -12.98 60.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.444 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -81.69 -47.13 13.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.77 0.319 . . . . 0.0 111.054 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.494 HD23 ' O ' ' A' ' 150' ' ' TYR . 3.6 mm? -55.29 -27.38 46.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.073 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -83.98 -31.26 25.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.013 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . 0.743 ' CE1' HG11 ' A' ' 160' ' ' VAL . 9.4 t80 -68.61 -35.81 77.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.109 -179.808 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.23 7.59 27.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.208 179.773 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 32.8 tttm -89.94 41.35 1.04 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.729 0.3 . . . . 0.0 111.243 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 104.81 87.31 1.99 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.78 179.731 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . 0.743 HG11 ' CE1' ' A' ' 156' ' ' PHE . 0.0 OUTLIER -114.1 30.17 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.908 0.385 . . . . 0.0 111.04 179.801 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.889 179.984 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 162' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 163' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 8.3 mtm . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 120.873 0.368 . . . . 0.0 111.102 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 6.0 m -141.85 113.05 3.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.186 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 73.6 mtt180 60.58 94.61 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.93 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 42.5 t -113.84 144.13 43.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.836 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 27.4 ttp -168.2 -63.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.891 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.79 -78.25 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.917 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -94.04 94.0 8.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.893 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 36.1 p-10 -66.86 -174.57 0.34 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.801 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.3 m -61.8 -38.85 89.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.91 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 20.6 mttp -62.25 159.7 14.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.942 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -99.78 -172.5 30.44 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.489 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.44 ' CB ' ' HB3' ' A' ' 96' ' ' GLU . 6.2 mtpt -100.06 127.89 46.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.862 0.363 . . . . 0.0 110.931 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -102.58 -81.73 0.49 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.252 -179.375 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.49 ' HA ' HD12 ' A' ' 97' ' ' LEU . 9.7 mt-10 -75.55 -30.4 59.7 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.884 0.374 . . . . 0.0 110.934 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -77.56 -13.28 59.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.948 179.663 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.44 ' HB3' ' CB ' ' A' ' 92' ' ' LYS . 0.6 OUTLIER -84.41 -26.25 28.45 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.102 -179.906 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.49 HD12 ' HA ' ' A' ' 94' ' ' GLU . 10.3 mt -67.72 -12.51 60.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.669 -179.674 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 96.8 p -71.46 -39.76 70.75 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.801 0.334 . . . . 0.0 111.002 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -75.66 -31.03 59.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.964 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 3.4 mt -68.83 -28.42 66.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.992 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.434 ' CZ ' ' HA ' ' A' ' 149' ' ' ASP . 77.2 t80 -59.83 -56.6 19.81 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.034 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.76 -31.42 64.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.859 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 65.4 mmm -64.5 -21.39 66.66 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.097 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -96.71 -24.58 15.89 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.97 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -79.4 153.06 29.99 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.996 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 5.2 mmtt -115.17 -50.91 2.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.846 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 30.6 m120 -75.05 -22.63 58.27 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.012 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 66.41 49.4 1.41 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.792 0.33 . . . . 0.0 111.024 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -101.14 -30.09 11.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.958 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 123.3 3.55 8.7 Favored Glycine 0 CA--C 1.519 0.303 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.918 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 26.6 m-85 -144.9 150.18 36.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.767 0.317 . . . . 0.0 110.819 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.455 HG22 ' N ' ' A' ' 113' ' ' ASP . 17.2 mt -128.83 156.25 41.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.99 0.424 . . . . 0.0 111.19 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . 0.455 ' N ' HG22 ' A' ' 112' ' ' ILE . 24.5 p-10 -147.02 -177.01 5.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.966 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.635 HD11 ' HA ' ' A' ' 134' ' ' GLU . 0.1 OUTLIER -60.1 -35.41 75.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.84 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -60.35 -52.04 66.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.845 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.757 ' HA ' HD12 ' A' ' 119' ' ' ILE . 1.9 tt0 -72.96 -45.48 57.77 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.145 -179.659 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.737 HD22 ' SD ' ' A' ' 137' ' ' MET . 11.4 tp -54.77 -42.07 71.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.504 -179.487 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.34 -26.18 68.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.318 -179.572 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.757 HD12 ' HA ' ' A' ' 116' ' ' GLU . 25.6 mt -74.66 -53.34 16.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.734 0.302 . . . . 0.0 111.138 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 7.6 ptm -57.66 -30.99 65.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.995 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.641 HD23 HD13 ' A' ' 128' ' ' ILE . 4.8 mp -68.2 -30.24 69.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.738 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -63.25 -23.95 67.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.728 179.636 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -57.18 -43.84 83.01 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.958 179.694 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 48.5 p -65.0 178.9 0.75 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.44 179.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -114.5 25.27 10.52 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.447 179.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -96.45 -174.46 3.05 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.851 0.358 . . . . 0.0 110.982 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 31.0 p -119.94 100.54 7.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.834 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.641 HD13 HD23 ' A' ' 121' ' ' LEU . 18.6 mt -112.85 147.68 16.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.155 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 1.8 t -112.8 163.87 14.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.775 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.68 -51.94 67.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.141 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.88 -26.95 27.36 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.179 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.94 -50.53 22.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.789 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.701 HG23 HD23 ' A' ' 117' ' ' LEU . 7.1 mt -62.02 -18.43 19.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.357 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.635 ' HA ' HD11 ' A' ' 114' ' ' LEU . 17.9 mt-10 -63.14 -53.62 50.6 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.853 0.359 . . . . 0.0 110.967 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -64.67 -22.06 66.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.251 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.413 HD12 ' HA ' ' A' ' 133' ' ' ILE . 5.4 mt -63.16 -56.55 15.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.921 0.391 . . . . 0.0 110.888 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . 0.737 ' SD ' HD22 ' A' ' 117' ' ' LEU . 37.0 mmm -74.46 -21.75 59.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.086 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 17.7 mttt -46.93 -61.39 1.89 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.497 -179.733 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . 0.44 ' OD2' ' CE1' ' A' ' 156' ' ' PHE . 0.0 OUTLIER -62.22 -37.26 84.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.78 0.324 . . . . 0.0 110.36 -179.777 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . 0.467 ' CA ' ' CD2' ' A' ' 156' ' ' PHE . . . -66.11 -26.73 72.51 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.541 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 52.6 t0 -73.31 107.9 5.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.9 0.381 . . . . 0.0 110.982 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 13.7 mmtp -106.27 -31.8 8.47 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.745 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 13.6 p-10 -91.59 -1.44 57.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.222 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 61.52 28.01 17.39 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.316 179.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 42.3 p-10 -89.92 -27.39 19.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.944 0.402 . . . . 0.0 110.774 179.659 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 98.22 28.31 8.2 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.554 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . 0.657 ' O ' HD13 ' A' ' 148' ' ' ILE . 57.3 mtt180 -148.17 -176.48 5.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.788 0.327 . . . . 0.0 111.025 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . 0.657 HD13 ' O ' ' A' ' 147' ' ' ARG . 30.7 mm -144.86 142.36 23.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.991 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . 0.434 ' HA ' ' CZ ' ' A' ' 101' ' ' PHE . 21.9 p30 -134.46 -175.71 3.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.847 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 150' ' ' TYR . . . . . 0.466 ' O ' HD23 ' A' ' 154' ' ' LEU . 67.3 t80 -57.78 -24.34 56.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.233 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 46.7 m-20 -81.24 -45.76 15.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.931 0.396 . . . . 0.0 110.872 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . 0.57 ' HB2' HG23 ' A' ' 148' ' ' ILE . 4.7 mm-40 -71.21 -28.5 64.25 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.048 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -72.39 -39.04 68.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.886 0.374 . . . . 0.0 110.958 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.466 HD23 ' O ' ' A' ' 150' ' ' TYR . 1.3 mm? -58.78 -29.49 66.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.946 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -88.74 -33.11 17.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.932 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . 0.467 ' CD2' ' CA ' ' A' ' 140' ' ' GLY . 1.0 OUTLIER -59.38 -40.5 86.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.831 -179.895 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.12 13.03 20.13 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.09 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 6.4 ttpp -92.23 36.05 0.99 Allowed 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.247 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 99.08 79.17 1.44 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.655 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -113.54 30.8 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.771 0.32 . . . . 0.0 111.075 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.884 -179.996 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 162' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 163' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 1.9 mtm . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.89 0.376 . . . . 0.0 111.09 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.474 HG22 ' N ' ' A' ' 83' ' ' ARG . 9.5 p -170.04 157.88 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.055 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.474 ' N ' HG22 ' A' ' 82' ' ' VAL . 1.3 tpt180 -66.69 -62.97 1.18 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 60.8 m -88.12 105.11 17.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 6.0 ttt -87.41 -33.34 19.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.896 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 11.4 tttt 61.94 117.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.016 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -60.02 171.71 0.92 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -92.83 -77.95 0.43 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.924 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 2.9 p -54.24 88.06 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.499 -179.649 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.8 mtpm? -103.96 -172.76 2.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.705 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -66.44 101.39 0.62 Allowed Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.608 -0.806 . . . . 0.0 112.535 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.453 ' CB ' ' HB3' ' A' ' 96' ' ' GLU . 22.8 mttt -101.58 142.87 32.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.736 0.303 . . . . 0.0 110.935 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 57.8 p -101.13 -79.11 0.51 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.934 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -77.81 -41.1 38.36 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.62 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -63.52 -21.74 66.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.708 179.547 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.453 ' HB3' ' CB ' ' A' ' 92' ' ' LYS . 0.2 OUTLIER -77.31 -18.65 57.32 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.188 179.889 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.584 HD22 ' CE2' ' A' ' 153' ' ' PHE . 61.4 mt -55.73 -21.47 18.88 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.627 -179.679 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.8 t -62.3 -45.08 94.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.836 0.35 . . . . 0.0 110.845 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -63.27 -45.27 92.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.966 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.77 -26.06 63.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.203 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.435 ' CZ ' ' HA ' ' A' ' 149' ' ' ASP . 53.8 t80 -57.88 -53.33 59.44 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.064 -179.829 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -56.93 -34.62 68.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.961 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 3.9 mmt -61.54 -50.77 71.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.791 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.649 ' HB3' HD13 ' A' ' 112' ' ' ILE . 22.5 m-85 -62.98 -25.27 68.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.095 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -80.51 151.26 29.3 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.921 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.597 ' HD2' HG21 ' A' ' 119' ' ' ILE . 0.0 OUTLIER -113.06 -44.57 3.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.88 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.415 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 39.0 p30 -89.64 -19.21 25.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.193 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.415 ' HB3' ' O ' ' A' ' 107' ' ' ASN . . . 67.64 40.54 2.5 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.043 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 34.4 p-10 -86.32 -15.49 40.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.263 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 112.35 -2.44 26.59 Favored Glycine 0 CA--C 1.518 0.231 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.797 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -150.18 160.74 43.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.8 0.333 . . . . 0.0 110.898 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.764 HG23 ' HB3' ' A' ' 116' ' ' GLU . 13.6 mt -126.96 145.88 33.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.656 179.775 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -131.7 -177.52 4.46 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.971 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.64 HD22 ' HG3' ' A' ' 137' ' ' MET . 3.7 mm? -53.02 -34.29 55.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.147 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.36 -56.0 8.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.926 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.764 ' HB3' HG23 ' A' ' 112' ' ' ILE . 0.4 OUTLIER -63.31 -45.73 89.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 -179.893 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.441 HD21 ' HB3' ' A' ' 136' ' ' LEU . 16.6 tp -55.26 -39.48 69.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.161 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.25 -26.98 66.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.98 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.597 HG21 ' HD2' ' A' ' 106' ' ' LYS . 29.0 mm -66.6 -38.17 81.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.996 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 8.2 tmm? -70.0 -41.17 74.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.945 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.818 HD13 HD12 ' A' ' 133' ' ' ILE . 0.5 OUTLIER -69.85 -31.29 69.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.986 -179.943 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 5.7 mm-40 -65.05 -27.14 68.59 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.7 179.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -57.06 -43.95 82.53 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.03 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 57.3 p -61.42 174.54 0.71 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.624 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -114.19 27.11 9.26 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.472 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -99.2 -168.97 1.69 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.846 0.355 . . . . 0.0 110.827 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 17.6 p -119.43 109.3 15.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.663 HG21 ' CD1' ' A' ' 133' ' ' ILE . 3.6 mp -112.22 141.77 26.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.191 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 15.9 p -97.62 161.98 13.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.894 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -59.73 -33.95 72.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.946 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -73.11 -31.04 64.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.836 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.53 -40.52 93.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.871 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.818 HD12 HD13 ' A' ' 121' ' ' LEU . 25.6 mm -67.3 -24.25 31.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.37 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.475 ' HA ' HD11 ' A' ' 114' ' ' LEU . 1.2 mt-10 -76.04 -30.22 58.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.035 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -67.93 -26.73 66.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.167 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.441 ' HB3' HD21 ' A' ' 117' ' ' LEU . 5.4 mt -68.13 -60.8 2.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.966 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . 0.64 ' HG3' HD22 ' A' ' 114' ' ' LEU . 2.8 mmt -60.9 -28.0 68.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.023 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.62 -69.81 0.12 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.203 -179.795 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 29.3 p-10 -69.53 -20.84 63.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.604 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -73.17 -48.56 19.18 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.587 -0.816 . . . . 0.0 112.377 179.754 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -68.87 147.98 50.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.872 0.368 . . . . 0.0 111.032 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 25.5 mmtt -115.48 -13.41 11.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.403 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -113.86 9.94 17.64 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 116.693 -0.231 . . . . 0.0 111.385 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 55.56 26.9 9.63 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.73 0.3 . . . . 0.0 111.162 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -82.73 -30.2 29.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.801 179.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 99.84 27.5 7.88 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.748 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . 0.483 ' O ' HD13 ' A' ' 148' ' ' ILE . 3.9 mtt180 -144.08 179.01 7.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.806 0.336 . . . . 0.0 110.957 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . 0.483 HD13 ' O ' ' A' ' 147' ' ' ARG . 37.9 mm -146.09 144.21 20.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.907 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . 0.435 ' HA ' ' CZ ' ' A' ' 101' ' ' PHE . 3.1 p30 -138.01 -179.09 5.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 28.0 t80 -58.69 -26.58 64.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.092 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.49 -50.36 11.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.623 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -68.48 -27.4 66.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.954 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 153' ' ' PHE . . . . . 0.584 ' CE2' HD22 ' A' ' 97' ' ' LEU . 12.6 t80 -71.24 -47.31 57.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.924 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.16 -31.78 69.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.851 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -81.51 -42.9 19.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.779 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . 0.804 ' O ' HG22 ' A' ' 160' ' ' VAL . 29.2 t80 -68.93 -29.61 67.9 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.917 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 157' ' ' MET . . . . . 0.433 ' HG3' ' CE1' ' A' ' 153' ' ' PHE . 10.7 mmt -89.71 3.87 51.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.319 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 3.4 tttp -91.05 45.11 1.23 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.852 0.358 . . . . 0.0 111.01 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 103.86 71.02 0.84 Allowed Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.34 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . 0.804 HG22 ' O ' ' A' ' 156' ' ' PHE . 5.3 t -69.28 -51.19 45.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.82 0.343 . . . . 0.0 111.002 -179.74 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 -179.94 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 162' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 163' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 13.8 mmt . . . . . 0 N--CA 1.485 1.318 0 CA-C-O 120.839 0.352 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 11.2 p -115.15 -38.3 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.152 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 3.9 ttp180 -155.84 121.46 4.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 1.7 m 60.63 169.26 0.09 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 3.4 ttt -111.32 99.47 8.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.84 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -119.64 32.23 6.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.836 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -110.32 -77.34 0.59 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.04 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.1 p30 -112.49 31.18 6.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.017 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.37 -72.58 0.15 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.005 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.46 129.49 55.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.951 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -87.82 -177.23 47.99 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.583 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 33.5 mtmm -54.93 105.15 0.14 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.87 0.366 . . . . 0.0 111.1 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.51 -171.03 2.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.964 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.435 ' HB3' HD12 ' A' ' 97' ' ' LEU . 3.0 mm-40 -56.55 -23.86 43.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -58.57 -27.74 64.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.074 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -87.71 -0.8 57.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.645 -179.815 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.435 HD12 ' HB3' ' A' ' 94' ' ' GLU . 26.0 mt -58.01 -26.15 62.03 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.722 0.296 . . . . 0.0 111.215 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 21.7 p -57.2 -30.12 64.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.837 0.351 . . . . 0.0 111.159 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -73.12 -34.74 66.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.022 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.422 ' O ' ' HG3' ' A' ' 103' ' ' MET . 10.0 mt -69.47 -22.78 63.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.139 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -73.8 -42.35 61.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.403 -179.407 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.92 -53.0 63.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.881 0.372 . . . . 0.0 111.202 -179.489 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . 0.422 ' HG3' ' O ' ' A' ' 100' ' ' LEU . 0.0 OUTLIER -56.98 -43.58 81.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 -179.9 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -62.77 -32.82 74.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.401 ' HB2' HD11 ' A' ' 112' ' ' ILE . 24.3 t0 -85.12 93.08 8.55 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.78 179.791 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.516 ' HD3' HG21 ' A' ' 119' ' ' ILE . 6.7 tptt -54.76 -47.05 74.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.942 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -74.39 -29.94 61.74 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 60.45 51.6 5.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.152 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -111.7 4.28 18.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.388 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 103.37 -15.58 53.74 Favored Glycine 0 C--N 1.332 0.351 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.757 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.42 ' CD2' ' HB3' ' A' ' 149' ' ' ASP . 13.3 m-85 -142.21 149.19 39.33 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.749 0.309 . . . . 0.0 110.838 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.404 HG22 ' N ' ' A' ' 113' ' ' ASP . 25.7 mt -127.84 154.23 38.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.109 179.785 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . 0.404 ' N ' HG22 ' A' ' 112' ' ' ILE . 13.4 p-10 -135.45 -175.52 3.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.024 -179.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 1.8 tp -59.24 -34.48 72.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.103 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.39 -53.85 51.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.81 -46.68 68.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.754 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 18.8 tp -55.72 -30.35 61.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.021 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.487 ' HG2' HD13 ' A' ' 133' ' ' ILE . 0.0 OUTLIER -61.7 -30.73 70.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.949 179.931 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.516 HG21 ' HD3' ' A' ' 106' ' ' LYS . 20.7 mt -74.01 -36.59 45.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.121 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 3.6 tmm? -61.73 -39.05 90.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.873 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.415 HD13 ' HA ' ' A' ' 121' ' ' LEU . 4.5 mm? -72.65 -29.47 63.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.05 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 10.3 mm-40 -61.16 -25.4 66.98 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.894 179.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -56.69 -46.31 81.25 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.102 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 16.1 p -65.24 175.28 1.71 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.627 179.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -114.04 27.51 9.06 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.413 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -101.15 -173.71 2.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.749 0.309 . . . . 0.0 110.837 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 32.9 p -119.64 108.33 14.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.853 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.405 HD13 ' HB3' ' A' ' 121' ' ' LEU . 3.1 mp -112.41 143.19 22.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.094 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 63.9 p -90.98 155.94 18.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.935 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -66.53 -30.25 70.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.805 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.62 -31.86 60.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.95 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.52 -34.43 75.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.917 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.515 ' HA ' HD12 ' A' ' 136' ' ' LEU . 18.5 mt -72.09 -20.49 20.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.251 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -67.93 -28.5 67.54 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.92 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -73.64 -26.29 60.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.054 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.515 HD12 ' HA ' ' A' ' 133' ' ' ILE . 0.9 OUTLIER -60.48 -46.48 89.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.853 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.67 -28.68 64.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.023 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -53.76 -66.9 0.31 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.151 -179.762 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . 0.416 ' OD1' ' N ' ' A' ' 140' ' ' GLY . 17.0 p-10 -68.17 -34.24 75.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.337 -179.806 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . 0.428 ' HA2' ' CG ' ' A' ' 156' ' ' PHE . . . -66.81 -36.75 91.62 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.619 -0.801 . . . . 0.0 112.173 179.697 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 55.7 t0 -73.7 130.52 40.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.957 0.408 . . . . 0.0 110.88 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . 0.4 ' HD2' ' N ' ' A' ' 142' ' ' LYS . 0.0 OUTLIER -111.64 -24.67 9.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.081 -179.825 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 23.1 p-10 -105.82 5.53 30.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.265 179.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 19.2 m-20 58.49 29.2 18.01 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.731 0.3 . . . . 0.0 111.108 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 37.7 p-10 -84.8 -0.35 53.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.408 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 72.81 24.12 76.64 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.569 -0.824 . . . . 0.0 112.693 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 15.9 mtt180 -152.9 -169.06 3.22 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.749 0.309 . . . . 0.0 110.85 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . 0.42 HG23 ' OE2' ' A' ' 152' ' ' GLU . 33.1 mt -148.26 138.25 16.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.245 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . 0.42 ' HB3' ' CD2' ' A' ' 111' ' ' TYR . 9.0 p-10 -134.06 -177.05 4.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.787 179.779 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 66.3 t80 -64.46 -27.09 68.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.58 -179.486 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -67.21 -61.46 1.91 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.786 0.327 . . . . 0.0 110.986 -179.647 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . 0.42 ' OE2' HG23 ' A' ' 148' ' ' ILE . 7.1 pt-20 -76.46 -6.64 52.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.549 -179.788 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 153' ' ' PHE . . . . . 0.429 ' CE2' ' HB3' ' A' ' 97' ' ' LEU . 16.9 t80 -76.33 -48.52 19.71 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-O 120.786 0.327 . . . . 0.0 110.498 179.703 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.25 -28.99 67.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -83.97 -37.55 22.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.799 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . 0.678 ' O ' HG13 ' A' ' 160' ' ' VAL . 12.5 t80 -66.83 -36.85 83.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.763 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.24 6.72 31.81 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.103 179.721 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -91.02 43.31 1.14 Allowed 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.824 0.345 . . . . 0.0 111.094 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 105.0 87.73 2.01 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.671 179.693 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . 0.678 HG13 ' O ' ' A' ' 156' ' ' PHE . 0.0 OUTLIER -113.01 -34.51 2.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.812 0.339 . . . . 0.0 111.067 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.914 179.933 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 162' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 163' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.888 0.375 . . . . 0.0 111.168 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.592 HG12 ' O ' ' A' ' 82' ' ' VAL . 16.1 t 61.22 29.11 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.138 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.67 -177.45 0.66 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.863 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 16.9 m -142.03 164.59 29.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.927 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -173.53 174.11 3.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.832 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 24.4 mttt 61.25 31.48 19.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.989 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -102.81 108.19 19.32 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -102.66 105.0 15.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.996 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 42.9 p -93.24 88.02 5.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.754 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 45.2 mtpt -59.67 96.53 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.04 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -77.96 160.3 48.28 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.35 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 3.0 mttp -69.77 46.3 0.07 Allowed 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 -179.407 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 16.5 p -101.55 -160.31 0.78 Allowed 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 110.234 -0.284 . . . . 0.0 110.234 179.656 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.633 ' HA ' HD12 ' A' ' 97' ' ' LEU . 3.9 mt-10 -60.01 -19.28 51.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.828 0.347 . . . . 0.0 110.807 179.386 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.14 -29.09 65.92 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.174 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.58 -19.08 50.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.302 -179.832 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.633 HD12 ' HA ' ' A' ' 94' ' ' GLU . 10.9 mt -52.51 -26.71 13.79 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.811 0.339 . . . . 0.0 111.218 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.4 t -71.12 -39.37 72.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.922 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 57.2 m-20 -60.46 -45.88 92.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.903 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.4 -24.75 67.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.064 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.445 ' CE2' ' HA ' ' A' ' 149' ' ' ASP . 55.1 t80 -58.62 -54.26 49.01 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.852 0.358 . . . . 0.0 111.198 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.78 -33.0 66.2 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.892 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 87.1 mtp -62.64 -20.75 65.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.95 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.583 ' HB3' HD13 ' A' ' 112' ' ' ILE . 8.5 m-85 -89.87 -22.11 22.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.1 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -79.21 149.86 31.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.842 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.54 -36.82 8.65 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.92 -179.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 9.2 p-10 -120.0 6.31 10.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.56 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 56.1 75.34 0.34 Allowed 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.797 0.332 . . . . 0.0 111.176 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 16.6 p-10 -111.85 -19.53 12.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.237 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 112.17 -7.61 27.01 Favored Glycine 0 CA--C 1.519 0.299 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.708 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.427 ' CD2' ' HB3' ' A' ' 149' ' ' ASP . 19.5 m-85 -149.32 158.86 44.53 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.731 0.301 . . . . 0.0 110.548 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.583 HD13 ' HB3' ' A' ' 104' ' ' PHE . 4.1 mt -127.06 146.98 32.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.98 0.419 . . . . 0.0 111.081 179.776 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -136.29 -177.41 4.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.981 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.608 HD21 ' HA ' ' A' ' 134' ' ' GLU . 1.5 mt -58.28 -30.92 66.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.963 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.64 -55.72 21.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.001 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -69.79 -46.38 65.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.865 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.645 HD23 ' CG2' ' A' ' 133' ' ' ILE . 11.7 tp -52.75 -28.53 22.62 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.158 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 5.3 tttt -75.98 -30.25 58.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.841 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 44.9 mt -69.64 -42.82 80.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.135 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 5.4 ptm -68.84 -31.15 69.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.862 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.666 HD12 HG12 ' A' ' 128' ' ' ILE . 0.4 OUTLIER -65.03 -30.0 70.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.796 179.9 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 10.0 mm100 -56.76 -23.43 42.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.759 179.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -55.55 -41.91 73.91 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.025 179.697 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . 0.503 ' OG1' HD11 ' A' ' 128' ' ' ILE . 29.8 p -59.4 158.46 9.43 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.682 179.716 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -78.39 -51.54 5.6 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.555 -0.831 . . . . 0.0 112.302 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.79 -179.67 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.868 0.366 . . . . 0.0 111.228 -179.792 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 81.6 p -111.12 124.62 52.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.95 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.666 HG12 HD12 ' A' ' 121' ' ' LEU . 3.5 mp -97.22 161.11 2.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.001 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . 0.5 ' N ' HG22 ' A' ' 128' ' ' ILE . 4.3 m -107.13 158.45 17.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.851 179.788 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.71 -29.42 68.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.838 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -78.34 -29.1 47.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.998 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -70.57 -33.1 70.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.998 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.645 ' CG2' HD23 ' A' ' 117' ' ' LEU . 21.7 mt -76.64 -14.82 14.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.478 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.608 ' HA ' HD21 ' A' ' 114' ' ' LEU . 0.6 OUTLIER -67.54 -56.19 10.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.904 0.383 . . . . 0.0 111.055 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -57.63 -22.2 44.01 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.273 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.437 ' HB3' HD21 ' A' ' 117' ' ' LEU . 0.2 OUTLIER -58.62 -50.3 74.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.845 0.355 . . . . 0.0 111.047 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.38 -16.52 60.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.372 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 1.4 tmtt? -56.04 -73.08 0.06 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.799 0.333 . . . . 0.0 111.195 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 25.7 p-10 -57.29 -22.82 44.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.539 -179.669 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -85.75 -22.7 49.06 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.612 -0.804 . . . . 0.0 112.624 179.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -84.23 132.44 34.65 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.82 0.343 . . . . 0.0 110.988 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -116.38 -20.22 9.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.35 -179.844 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 20.3 p-10 -107.15 1.55 24.2 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-O 120.691 0.282 . . . . 0.0 111.443 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 18.0 m-20 61.37 28.92 18.26 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.736 0.303 . . . . 0.0 111.138 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 40.0 p-10 -85.94 -30.59 22.68 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.039 0.447 . . . . 0.0 110.555 179.692 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 104.01 20.66 10.3 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.566 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 17.3 mtt85 -142.83 -174.22 4.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.931 0.396 . . . . 0.0 110.656 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 39.5 mt -145.2 138.44 21.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.055 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . 0.445 ' HA ' ' CE2' ' A' ' 101' ' ' PHE . 4.7 p30 -134.14 169.43 17.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.76 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -58.33 -26.61 63.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.544 -179.593 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.76 -61.55 1.74 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.751 0.31 . . . . 0.0 111.168 -179.62 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -73.57 -15.38 61.29 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.517 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -70.82 -32.43 69.49 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.833 0.349 . . . . 0.0 110.873 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -66.5 -26.32 67.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.008 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -85.35 -33.28 22.08 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.8 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . 0.551 ' CD1' HG11 ' A' ' 160' ' ' VAL . 11.4 t80 -61.83 -26.81 68.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.817 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -97.59 16.76 19.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.151 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -91.59 32.53 1.08 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.407 -179.717 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 102.21 75.38 1.1 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.594 -0.812 . . . . 0.0 112.699 179.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . 0.551 HG11 ' CD1' ' A' ' 156' ' ' PHE . 0.7 OUTLIER -114.21 30.9 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.858 0.361 . . . . 0.0 111.138 179.901 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.878 179.963 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 162' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 163' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 1.7 ptm . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.803 0.335 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 27.4 t -106.56 113.52 43.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.031 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 4.8 ttt180 60.28 82.55 0.16 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.894 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 81.5 m -66.42 -32.92 74.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.845 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 24.8 ttt -70.44 128.78 37.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.839 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -136.93 -53.8 0.71 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -96.71 172.37 7.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.891 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -96.33 -177.69 4.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.29 166.38 5.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.838 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -107.89 39.13 2.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.877 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -74.77 127.27 9.45 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.377 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.534 ' HA ' ' HG3' ' A' ' 96' ' ' GLU . 41.2 mttt -75.45 71.6 2.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.856 0.36 . . . . 0.0 110.932 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 10.2 p -100.05 -161.86 0.9 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.968 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -57.94 -38.15 75.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.365 -179.672 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -53.6 -28.69 33.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.101 -179.773 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.534 ' HG3' ' HA ' ' A' ' 92' ' ' LYS . 6.2 mm-40 -91.44 23.7 3.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.252 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.496 HD22 ' CE2' ' A' ' 153' ' ' PHE . 9.7 mt -61.2 -24.28 66.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.697 0.284 . . . . 0.0 111.12 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.9 -32.7 71.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.881 0.372 . . . . 0.0 110.906 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.402 ' O ' ' HG3' ' A' ' 102' ' ' ARG . 10.9 t70 -75.67 -25.1 56.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.049 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.418 ' O ' ' CG ' ' A' ' 103' ' ' MET . 0.7 OUTLIER -84.28 -14.63 49.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.44 -179.773 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.431 ' CE2' ' HA ' ' A' ' 149' ' ' ASP . 38.5 t80 -74.47 -33.69 62.94 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 111.855 0.317 . . . . 0.0 111.855 -179.155 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.402 ' HG3' ' O ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER -59.89 -46.34 89.64 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 111.822 0.305 . . . . 0.0 111.822 -179.061 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . 0.418 ' CG ' ' O ' ' A' ' 100' ' ' LEU . 4.4 ptp -54.52 -43.39 71.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.86 0.362 . . . . 0.0 111.022 -179.643 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -58.83 -30.62 67.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.835 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -78.92 150.42 32.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.814 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.54 ' HD3' HG21 ' A' ' 119' ' ' ILE . 2.9 tptp -95.45 -39.9 9.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.975 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 21.4 p30 -120.03 12.71 12.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.382 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 53.51 74.52 0.31 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.812 0.339 . . . . 0.0 111.236 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -111.5 -24.93 9.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.133 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 113.65 -3.47 24.66 Favored Glycine 0 CA--C 1.518 0.227 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.844 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.447 ' CD2' ' HB3' ' A' ' 149' ' ' ASP . 32.6 m-85 -147.42 153.53 39.71 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.733 0.301 . . . . 0.0 110.653 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 2.0 mt -127.68 151.1 34.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.9 0.381 . . . . 0.0 111.232 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -143.18 -177.32 5.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.8 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.506 HD22 ' SD ' ' A' ' 137' ' ' MET . 4.1 mm? -58.08 -22.83 52.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.172 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 58.9 mt-10 -67.26 -59.02 3.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.771 0.32 . . . . 0.0 111.046 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.862 ' HA ' HD12 ' A' ' 119' ' ' ILE . 6.2 mt-10 -71.98 -37.18 69.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.959 -179.769 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.737 HD23 HG22 ' A' ' 133' ' ' ILE . 10.9 tp -56.02 -41.83 75.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.248 -179.743 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.0 -28.27 67.28 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.14 -179.759 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.862 HD12 ' HA ' ' A' ' 116' ' ' GLU . 21.6 mt -74.87 -52.06 20.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.173 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . 0.463 ' CE ' HD22 ' A' ' 121' ' ' LEU . 7.2 ptm -59.45 -32.68 70.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.008 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.661 HD23 ' O ' ' A' ' 117' ' ' LEU . 3.5 mm? -67.75 -28.28 67.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.032 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -66.02 -25.64 67.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.702 179.718 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -57.98 -46.78 84.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.981 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 44.7 p -57.98 171.83 0.48 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.648 179.731 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -114.82 19.36 15.94 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.541 179.675 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -91.29 -168.46 2.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.77 0.319 . . . . 0.0 110.985 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 77.2 p -119.82 97.56 5.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.821 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 3.0 mp -112.14 145.02 18.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.166 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . 0.477 HG23 ' H ' ' A' ' 132' ' ' ASP . 1.3 t -102.78 162.95 12.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.868 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.3 -29.65 70.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.945 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.27 -30.42 60.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.001 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . 0.477 ' H ' HG23 ' A' ' 129' ' ' THR . 1.5 m-20 -66.68 -48.74 68.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.007 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.737 HG22 HD23 ' A' ' 117' ' ' LEU . 5.2 mt -60.95 -24.66 33.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.238 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.427 ' HG2' HD11 ' A' ' 114' ' ' LEU . 0.9 OUTLIER -73.55 -29.59 62.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.904 0.383 . . . . 0.0 111.001 -179.931 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -77.37 -31.21 54.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.95 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.73 -45.39 89.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.986 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . 0.54 ' CG ' HD22 ' A' ' 117' ' ' LEU . 1.8 mtp -71.3 -20.95 62.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.148 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.61 -70.23 0.1 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.148 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 23.3 p-10 -63.84 -25.97 68.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.315 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -78.09 -18.44 76.62 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.576 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 29.6 t0 -98.72 85.19 3.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.824 0.345 . . . . 0.0 110.997 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 6.6 mmtt -81.95 -20.58 38.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.091 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . 0.409 ' HB3' 'CA ' ' A' ' 163' ' ' ' CA' . 12.2 t-20 -91.77 -21.08 20.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.945 179.802 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 71.41 33.04 1.99 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.982 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 16.8 p-10 -94.91 16.4 16.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.167 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 64.08 15.45 58.46 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.949 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 20.3 mtm180 -156.03 -175.16 5.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.888 0.375 . . . . 0.0 110.986 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 46.6 mt -141.87 143.0 27.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.123 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . 0.447 ' HB3' ' CD2' ' A' ' 111' ' ' TYR . 50.6 p-10 -135.67 -171.98 2.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.825 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 24.1 t80 -63.26 -24.33 67.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.337 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -80.32 -48.73 12.55 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.982 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -71.49 -24.03 61.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.164 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 153' ' ' PHE . . . . . 0.496 ' CE2' HD22 ' A' ' 97' ' ' LEU . 12.2 t80 -81.52 -31.19 32.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.868 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.39 -36.22 80.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.892 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -83.72 -30.96 26.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.735 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . 0.631 ' CE1' HG11 ' A' ' 160' ' ' VAL . 13.5 t80 -63.2 -40.38 97.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.885 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 2.7 mmt -88.84 8.2 30.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.238 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.53 40.57 1.04 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.697 0.284 . . . . 0.0 111.108 -179.799 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 104.29 87.32 1.99 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.625 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . 0.631 HG11 ' CE1' ' A' ' 156' ' ' PHE . 0.0 OUTLIER -114.05 -36.63 2.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.759 0.314 . . . . 0.0 111.108 179.788 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.852 179.883 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 162' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 163' ' ' ' CA' . . . . . 0.409 'CA ' ' HB3' ' A' ' 143' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 9.2 ttm . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.853 0.359 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.545 ' O ' HG12 ' A' ' 82' ' ' VAL . 13.3 t 59.74 34.25 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.996 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 11.6 ttm180 -173.77 144.77 1.1 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 1.7 m 60.2 169.8 0.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 15.6 mtt 64.93 -77.12 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.917 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 8.7 mttt -57.65 -178.64 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.911 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -108.52 133.43 52.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.912 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -86.54 -61.45 1.73 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.83 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 49.0 m -71.31 177.6 3.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.974 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 20.0 mttm -72.42 -171.03 0.72 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.875 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.423 ' O ' ' N ' ' A' ' 93' ' ' THR . . . -88.69 -165.84 41.67 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.58 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.471 ' HB2' ' HB3' ' A' ' 96' ' ' GLU . 1.5 pttt -62.44 75.17 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.764 0.316 . . . . 0.0 111.296 -179.734 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.423 ' N ' ' O ' ' A' ' 91' ' ' GLY . 1.2 p -102.78 -88.0 0.41 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.229 -179.569 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.494 ' HG2' HD11 ' A' ' 154' ' ' LEU . 54.1 mt-10 -82.54 -27.53 31.6 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.851 0.358 . . . . 0.0 111.032 -179.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -76.56 -9.36 58.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.991 179.675 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.471 ' HB3' ' HB2' ' A' ' 92' ' ' LYS . 0.5 OUTLIER -89.29 -27.98 20.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.088 -179.82 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.712 HD22 ' HG3' ' A' ' 157' ' ' MET . 72.4 mt -69.46 -14.81 63.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.568 -179.717 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 11.7 t -72.39 -42.16 65.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.761 0.315 . . . . 0.0 110.989 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.98 -27.83 63.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.991 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -78.67 -28.6 45.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.039 -179.824 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.433 ' CZ ' ' HA ' ' A' ' 149' ' ' ASP . 79.2 t80 -62.76 -54.45 38.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.008 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -54.2 -37.5 64.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.912 0.387 . . . . 0.0 110.855 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 61.1 mtt -54.74 -30.53 56.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -84.65 -22.44 29.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.966 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.56 151.23 24.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.913 0.387 . . . . 0.0 110.753 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.699 ' HD3' HG21 ' A' ' 119' ' ' ILE . 6.2 tptm -103.66 -37.41 7.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.846 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 18.5 p-10 -109.36 -12.58 14.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.283 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 64.22 60.05 1.0 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.954 0.407 . . . . 0.0 111.101 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -100.27 -23.74 14.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.046 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 125.32 -2.15 8.26 Favored Glycine 0 CA--C 1.519 0.303 0 C-N-CA 120.619 -0.801 . . . . 0.0 112.817 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.455 ' CD2' ' HB3' ' A' ' 149' ' ' ASP . 54.1 m-85 -151.78 156.38 40.11 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.951 0.405 . . . . 0.0 110.81 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 2.2 mt -127.3 148.84 32.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.699 179.533 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -133.36 -175.17 3.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.972 -179.708 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.71 -32.95 67.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.089 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -66.34 -50.79 62.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.961 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -71.99 -48.15 46.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.92 0.391 . . . . 0.0 110.889 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.642 HD21 ' HB3' ' A' ' 136' ' ' LEU . 15.7 tp -51.29 -26.52 7.53 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.32 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.471 ' HA ' HD21 ' A' ' 121' ' ' LEU . 2.7 tttt -76.84 -31.68 57.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.032 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.699 HG21 ' HD3' ' A' ' 106' ' ' LYS . 33.9 mt -76.99 -41.56 31.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.863 -179.386 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . 0.462 ' HE2' ' HB3' ' A' ' 121' ' ' LEU . 0.0 OUTLIER -65.37 -37.15 86.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.554 -0.293 . . . . 0.0 111.701 -179.236 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.709 HD12 ' N ' ' A' ' 122' ' ' GLN . 3.5 pp -67.53 -19.75 65.33 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.58 0.228 . . . . 0.0 111.383 -179.745 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . 0.709 ' N ' HD12 ' A' ' 121' ' ' LEU . 3.1 mm-40 -57.8 -24.02 55.28 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.79 0.329 . . . . 0.0 110.871 179.785 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -55.14 -42.3 72.87 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.042 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 11.9 p -59.5 159.44 8.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.705 179.694 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -77.27 -51.07 6.31 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.499 -0.858 . . . . 0.0 112.322 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -58.89 174.38 0.36 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.901 0.381 . . . . 0.0 111.17 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 1.7 p -111.83 124.83 53.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.971 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.491 HG22 ' N ' ' A' ' 129' ' ' THR . 26.1 mm -87.49 160.08 2.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.069 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . 0.538 HG23 ' H ' ' A' ' 132' ' ' ASP . 12.5 t -115.29 166.62 11.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.859 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.602 ' HA ' HD12 ' A' ' 133' ' ' ILE . 0.2 OUTLIER -57.97 -31.56 67.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.917 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -69.76 -42.94 73.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.887 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . 0.538 ' H ' HG23 ' A' ' 129' ' ' THR . 20.4 m-20 -66.76 -37.41 84.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.072 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.602 HD12 ' HA ' ' A' ' 130' ' ' GLU . 9.1 mt -69.65 -33.86 58.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.081 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -68.44 -55.23 12.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.939 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.11 -25.47 68.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.244 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.642 ' HB3' HD21 ' A' ' 117' ' ' LEU . 0.1 OUTLIER -60.9 -52.22 65.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.16 -179.795 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 6.0 ttm -74.63 -19.01 60.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.33 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.72 -70.96 0.13 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.766 0.317 . . . . 0.0 111.106 -179.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 24.8 p-10 -55.92 -21.82 22.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.732 -179.693 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -87.71 -29.2 21.88 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.613 -0.803 . . . . 0.0 112.359 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -86.08 113.78 22.42 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.907 0.384 . . . . 0.0 110.915 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -106.66 -13.04 15.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.268 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -94.45 -10.69 31.59 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.72 0.295 . . . . 0.0 111.329 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 15.8 m-20 63.58 30.25 15.07 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 120.784 0.326 . . . . 0.0 110.924 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 40.0 p-10 -102.71 13.33 34.7 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.281 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 64.67 32.91 85.78 Favored Glycine 0 C--N 1.33 0.23 0 C-N-CA 120.884 -0.674 . . . . 0.0 113.199 179.435 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . 0.449 ' HD2' ' CD2' ' A' ' 111' ' ' TYR . 0.8 OUTLIER -160.88 179.71 8.26 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.981 0.42 . . . . 0.0 111.248 179.768 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . 0.438 HG22 ' N ' ' A' ' 149' ' ' ASP . 47.0 mt -138.94 155.48 27.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.885 179.737 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . 0.455 ' HB3' ' CD2' ' A' ' 111' ' ' TYR . 6.7 p30 -148.8 168.74 22.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.071 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 28.6 t80 -58.73 -24.13 61.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.298 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -70.05 -59.22 3.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.149 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -79.98 -11.67 59.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.476 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 153' ' ' PHE . . . . . 0.435 ' CE1' ' HG2' ' A' ' 157' ' ' MET . 11.4 t80 -75.05 -32.12 61.47 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.825 0.345 . . . . 0.0 110.82 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.494 HD11 ' HG2' ' A' ' 94' ' ' GLU . 0.3 OUTLIER -61.27 -28.84 69.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.999 179.934 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -86.9 -26.86 23.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.01 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . 0.617 ' O ' HG22 ' A' ' 160' ' ' VAL . 12.9 t80 -76.66 -29.91 56.57 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.809 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 157' ' ' MET . . . . . 0.712 ' HG3' HD22 ' A' ' 97' ' ' LEU . 1.5 mmt -83.32 -1.68 53.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.361 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 8.0 mtmm -88.85 49.72 1.83 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.918 0.389 . . . . 0.0 110.926 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 103.92 77.37 1.17 Allowed Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.403 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . 0.617 HG22 ' O ' ' A' ' 156' ' ' PHE . 2.2 t -79.42 -62.75 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.791 0.329 . . . . 0.0 111.081 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.931 179.953 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 162' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 163' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.844 0.354 . . . . 0.0 111.192 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.42 HG12 ' N ' ' A' ' 83' ' ' ARG . 21.4 t -112.38 155.12 13.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.146 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.42 ' N ' HG12 ' A' ' 82' ' ' VAL . 1.5 mpp_? 62.87 -79.63 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.081 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 1.8 m -59.39 150.54 26.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.942 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 56.0 mtt 60.37 90.57 0.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.988 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 23.1 mttt -147.2 72.89 1.27 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.842 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -100.07 36.72 1.78 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.901 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -102.15 -46.65 4.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.918 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 69.2 m -107.08 32.08 4.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.02 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.59 146.72 42.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.936 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -104.61 143.42 15.66 Favored Glycine 0 C--N 1.33 0.232 0 C-N-CA 120.642 -0.79 . . . . 0.0 112.495 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 3.3 mmtm -59.82 130.62 47.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.83 0.347 . . . . 0.0 110.915 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.746 HG23 ' H ' ' A' ' 95' ' ' GLU . 12.2 t -100.86 -165.99 1.27 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.572 ' HG2' HD11 ' A' ' 97' ' ' LEU . 17.1 mt-10 -53.97 -24.95 18.44 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.076 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.746 ' H ' HG23 ' A' ' 93' ' ' THR . 0.7 OUTLIER -56.25 -27.12 54.0 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.941 179.82 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.04 1.43 40.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.343 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.572 HD11 ' HG2' ' A' ' 94' ' ' GLU . 41.3 mt -58.95 -28.62 66.45 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.768 0.318 . . . . 0.0 111.013 -179.844 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.405 ' HA ' ' CE1' ' A' ' 150' ' ' TYR . 23.3 p -65.45 -33.47 76.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.976 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -74.99 -29.65 60.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.023 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 8.4 mt -75.21 -28.26 59.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.049 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.433 ' CZ ' ' HA ' ' A' ' 149' ' ' ASP . 56.4 t80 -64.6 -50.07 68.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.089 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -54.64 -36.16 64.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.044 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -60.68 -50.69 72.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.72 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.527 ' HB3' HD13 ' A' ' 112' ' ' ILE . 0.7 OUTLIER -60.63 -28.2 68.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.037 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.74 141.9 51.46 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.822 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.44 ' CE ' HG21 ' A' ' 119' ' ' ILE . 15.9 tptp -82.78 -49.95 9.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.068 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 45.9 p30 -120.05 17.03 12.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.312 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 50.81 72.13 0.37 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.831 0.348 . . . . 0.0 111.33 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.6 ' OD1' 'CA ' ' A' ' 162' ' ' ' CA' . 7.4 p-10 -111.75 -2.78 15.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.498 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 97.79 -13.43 63.83 Favored Glycine 0 C--N 1.331 0.282 0 C-N-CA 120.576 -0.821 . . . . 0.0 112.709 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.422 ' CD2' ' HB3' ' A' ' 149' ' ' ASP . 23.4 m-85 -145.22 153.5 41.39 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.709 0.29 . . . . 0.0 110.729 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.527 HD13 ' HB3' ' A' ' 104' ' ' PHE . 8.4 mt -127.8 151.43 34.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.947 0.403 . . . . 0.0 111.131 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -133.05 -176.72 4.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.984 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.84 -44.25 97.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.987 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.12 -47.02 86.79 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.916 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.66 ' HA ' HD12 ' A' ' 119' ' ' ILE . 14.9 mt-10 -71.23 -51.06 26.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.798 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.576 HD21 ' HB3' ' A' ' 136' ' ' LEU . 12.5 tp -55.2 -31.14 61.19 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.085 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 15.4 tttt -67.34 -27.37 67.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.015 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.66 HD12 ' HA ' ' A' ' 116' ' ' GLU . 18.4 mt -72.86 -22.98 20.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.362 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 22.3 ttp -82.2 -34.25 29.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.292 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -73.34 -32.88 64.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.239 -179.668 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -64.43 -39.64 94.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.995 0.426 . . . . 0.0 110.56 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -48.7 -37.38 18.51 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.052 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 24.8 p -56.23 177.52 0.06 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.424 179.647 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -113.86 18.48 19.35 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.472 -0.87 . . . . 0.0 112.615 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . 0.44 ' CG ' HD11 ' A' ' 128' ' ' ILE . 13.9 pt-20 -101.73 -169.4 1.68 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.748 0.308 . . . . 0.0 110.676 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 68.4 p -119.79 102.55 8.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.745 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.44 HD11 ' CG ' ' A' ' 126' ' ' GLU . 1.7 mp -112.46 152.18 14.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.231 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . 0.55 HG22 ' OD2' ' A' ' 132' ' ' ASP . 1.4 t -105.87 159.88 15.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.849 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -59.92 -29.72 68.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.006 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.49 -30.98 65.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.926 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . 0.55 ' OD2' HG22 ' A' ' 129' ' ' THR . 3.9 m-20 -69.03 -31.3 69.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.02 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 21.6 mm -70.59 -14.22 17.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.602 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -73.98 -36.53 64.56 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.747 0.308 . . . . 0.0 111.076 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.38 -26.07 67.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.136 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.576 ' HB3' HD21 ' A' ' 117' ' ' LEU . 0.9 OUTLIER -64.1 -56.48 14.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.013 -179.934 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 6.5 ttm -74.3 -20.55 60.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.23 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.21 -69.57 0.11 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.257 -179.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . 0.407 ' OD1' ' N ' ' A' ' 140' ' ' GLY . 26.9 p-10 -69.06 -24.43 64.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.432 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . 0.407 ' N ' ' OD1' ' A' ' 139' ' ' ASP . . . -77.08 -6.21 85.82 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.771 179.746 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 36.2 t0 -99.01 121.69 41.29 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.895 0.378 . . . . 0.0 111.024 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -113.34 -27.79 7.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.056 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 15.9 p30 -93.81 -13.15 27.65 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.233 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 70.22 29.86 3.58 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 120.865 0.364 . . . . 0.0 111.345 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 40.2 p-10 -89.75 -29.77 18.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.418 179.42 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 104.54 27.56 6.04 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.45 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 21.1 mtm180 -151.62 -178.24 6.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.964 0.412 . . . . 0.0 110.893 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 25.6 mt -140.12 135.7 37.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.103 179.65 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . 0.433 ' HA ' ' CZ ' ' A' ' 101' ' ' PHE . 4.8 p30 -134.39 172.55 12.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.845 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 150' ' ' TYR . . . . . 0.548 ' O ' HD23 ' A' ' 154' ' ' LEU . 11.2 t80 -59.91 -26.42 65.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.286 -179.783 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.5 -62.03 1.57 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.847 0.356 . . . . 0.0 111.022 -179.749 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -73.89 -18.95 60.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.328 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 153' ' ' PHE . . . . . 0.434 ' CE1' ' HG3' ' A' ' 157' ' ' MET . 8.4 t80 -68.18 -42.84 79.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.788 0.327 . . . . 0.0 110.762 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.548 HD23 ' O ' ' A' ' 150' ' ' TYR . 2.2 mm? -55.32 -29.15 57.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.064 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -85.69 -33.4 21.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.755 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . 0.692 ' O ' HG22 ' A' ' 160' ' ' VAL . 14.0 t80 -69.74 -29.11 66.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 157' ' ' MET . . . . . 0.434 ' HG3' ' CE1' ' A' ' 153' ' ' PHE . 0.9 OUTLIER -93.1 3.31 55.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.154 179.876 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 18.3 tttt -91.28 45.4 1.24 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.882 0.372 . . . . 0.0 111.016 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 104.11 69.39 0.78 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.676 -0.774 . . . . 0.0 112.381 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . 0.692 HG22 ' O ' ' A' ' 156' ' ' PHE . 4.2 t -62.27 -30.74 49.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.797 0.332 . . . . 0.0 111.07 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.019 179.939 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 162' ' ' ' CA' . . . . . 0.6 'CA ' ' OD1' ' A' ' 109' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 163' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.822 0.344 . . . . 0.0 111.216 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 21.6 t 60.3 85.88 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.104 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.53 111.57 19.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.885 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER 66.04 -75.46 0.05 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.871 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 6.0 ptt? -130.94 -49.79 1.03 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.949 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 39.8 tttt 58.23 82.96 0.12 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.966 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.02 103.43 3.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -96.67 -22.77 16.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.139 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 19.6 t -106.54 156.24 18.77 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.969 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 26.6 mttt -104.1 87.37 2.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.87 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -109.45 38.23 3.42 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.385 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.425 ' CB ' ' HB3' ' A' ' 96' ' ' GLU . 11.3 mtmt -79.17 132.46 36.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.879 0.371 . . . . 0.0 110.903 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 75.9 p -101.1 -79.67 0.5 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.965 -179.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.401 ' O ' HD12 ' A' ' 97' ' ' LEU . 16.9 mt-10 -74.94 -46.4 35.89 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.974 0.416 . . . . 0.0 110.472 179.653 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -57.96 -22.42 49.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.686 179.639 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.425 ' HB3' ' CB ' ' A' ' 92' ' ' LYS . 0.0 OUTLIER -78.43 -9.32 59.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.355 179.9 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.409 HD22 ' CE2' ' A' ' 153' ' ' PHE . 19.3 mt -51.22 -25.81 6.1 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.473 -179.749 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 23.0 t -63.44 -37.53 87.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.794 0.33 . . . . 0.0 110.99 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -68.03 -44.21 77.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.075 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.418 HD12 ' OE1' ' A' ' 96' ' ' GLU . 0.2 OUTLIER -64.19 -23.92 67.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.115 -179.851 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.42 ' CZ ' ' HA ' ' A' ' 149' ' ' ASP . 63.3 t80 -63.83 -48.59 76.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.716 0.293 . . . . 0.0 111.098 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 17.1 mtp180 -56.49 -33.13 65.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.881 0.372 . . . . 0.0 111.01 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 2.3 mtt -59.77 -52.0 67.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.833 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.524 ' HB3' HD13 ' A' ' 112' ' ' ILE . 1.7 m-85 -66.64 -22.13 66.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.126 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.18 144.5 32.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.82 0.343 . . . . 0.0 110.862 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.9 tptt -110.57 -48.98 3.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.967 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.416 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 26.7 p-10 -84.89 -20.4 30.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.107 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.416 ' HB3' ' O ' ' A' ' 107' ' ' ASN . . . 67.56 45.04 1.59 Allowed 'General case' 0 C--O 1.233 0.189 0 CA-C-O 120.983 0.421 . . . . 0.0 111.074 -179.827 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 20.7 p-10 -95.79 -26.37 15.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.984 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 124.97 2.48 7.82 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.879 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.44 ' CD2' ' HB3' ' A' ' 149' ' ' ASP . 30.7 m-85 -150.36 157.07 42.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.743 0.306 . . . . 0.0 110.897 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.524 HD13 ' HB3' ' A' ' 104' ' ' PHE . 3.9 mt -127.66 148.94 32.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.956 0.408 . . . . 0.0 111.121 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -133.62 179.88 5.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.887 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.752 ' HA ' HD12 ' A' ' 117' ' ' LEU . 1.2 mp -56.37 -29.95 62.08 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.257 -179.829 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.14 -42.36 99.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.023 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.69 ' HA ' HD12 ' A' ' 119' ' ' ILE . 0.1 OUTLIER -71.56 -39.73 70.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.151 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.883 HD11 ' HG2' ' A' ' 137' ' ' MET . 38.5 mt -53.5 -44.81 69.37 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.904 ' HG2' HD13 ' A' ' 133' ' ' ILE . 0.3 OUTLIER -64.78 -34.54 78.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.512 179.644 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.69 HD12 ' HA ' ' A' ' 116' ' ' GLU . 16.0 mt -75.67 -57.24 6.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.216 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 1.3 ptm -58.48 -29.33 66.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.204 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 26.7 mt -72.63 -27.05 61.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.056 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -66.16 -25.76 67.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.824 0.345 . . . . 0.0 110.745 179.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -58.4 -50.41 73.79 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.81 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 13.6 p -61.48 175.85 0.55 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.446 179.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -114.59 19.72 16.19 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.565 -0.826 . . . . 0.0 112.425 179.763 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -86.45 -175.66 5.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.816 0.341 . . . . 0.0 110.997 -179.765 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 17.8 p -119.18 101.74 8.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.751 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 3.9 mp -111.56 138.62 39.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.153 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.96 164.75 14.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.772 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.632 ' HA ' HD12 ' A' ' 133' ' ' ILE . 0.3 OUTLIER -62.53 -45.62 92.13 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 -179.949 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.72 -30.27 66.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.919 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.41 -30.52 71.28 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.977 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.904 HD13 ' HG2' ' A' ' 118' ' ' LYS . 5.9 mt -73.79 -17.66 17.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.517 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.16 -36.03 69.21 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.797 0.332 . . . . 0.0 110.996 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -70.34 -22.44 62.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.117 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.785 HD13 ' HA ' ' A' ' 133' ' ' ILE . 2.4 mp -61.23 -53.13 60.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.856 0.36 . . . . 0.0 110.924 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . 0.883 ' HG2' HD11 ' A' ' 117' ' ' LEU . 1.1 mmt -67.98 -26.06 65.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.11 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -51.64 -74.85 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.166 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . 0.406 ' OD1' ' N ' ' A' ' 140' ' ' GLY . 16.0 p-10 -58.89 -33.73 70.84 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.271 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . 0.406 ' N ' ' OD1' ' A' ' 139' ' ' ASP . . . -69.57 -18.31 73.64 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.59 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -98.39 118.47 35.12 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.872 0.367 . . . . 0.0 110.857 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 8.5 mmmt -98.95 -23.06 15.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.157 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 22.7 p-10 -110.34 0.63 18.06 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.394 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 2.1 m120 59.08 38.31 23.95 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.831 0.348 . . . . 0.0 110.942 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 51.3 p-10 -92.06 14.94 14.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.386 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 63.28 15.16 56.35 Favored Glycine 0 CA--C 1.518 0.272 0 C-N-CA 120.896 -0.669 . . . . 0.0 113.289 179.507 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.92 -179.62 8.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.97 0.414 . . . . 0.0 111.199 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 69.1 mt -142.91 151.28 17.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.056 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . 0.44 ' HB3' ' CD2' ' A' ' 111' ' ' TYR . 3.4 p30 -143.11 -177.68 5.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 150' ' ' TYR . . . . . 0.672 ' O ' HD23 ' A' ' 154' ' ' LEU . 64.0 t80 -61.56 -26.1 67.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.247 -179.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -77.86 -50.8 11.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.848 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -70.19 -27.24 64.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.933 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 153' ' ' PHE . . . . . 0.421 ' CZ ' ' HG3' ' A' ' 157' ' ' MET . 21.9 t80 -72.61 -34.31 67.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.872 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.672 HD23 ' O ' ' A' ' 150' ' ' TYR . 1.4 mm? -62.69 -32.3 73.36 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -87.01 -33.37 19.6 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.775 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . 0.728 ' O ' HG22 ' A' ' 160' ' ' VAL . 11.4 t80 -68.86 -25.8 64.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.673 179.788 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 157' ' ' MET . . . . . 0.421 ' HG3' ' CZ ' ' A' ' 153' ' ' PHE . 1.1 mmt -91.79 8.21 38.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.433 -0.348 . . . . 0.0 111.162 179.775 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 57.3 mttt -90.78 42.62 1.11 Allowed 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.811 0.338 . . . . 0.0 111.057 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 104.62 89.27 2.1 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.831 -0.7 . . . . 0.0 112.44 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . 0.728 HG22 ' O ' ' A' ' 156' ' ' PHE . 2.0 t -102.18 -62.13 2.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.801 0.334 . . . . 0.0 111.074 -179.793 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.851 179.947 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 162' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 163' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 22.2 mtt . . . . . 0 N--CA 1.488 1.448 0 CA-C-O 120.789 0.328 . . . . 0.0 111.243 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.401 HG22 ' N ' ' A' ' 83' ' ' ARG . 11.9 p -70.97 153.39 8.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.17 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.401 ' N ' HG22 ' A' ' 82' ' ' VAL . 14.4 mtm-85 -72.79 90.5 1.43 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.744 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 28.8 p -127.85 40.15 3.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.956 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 18.4 ptm -103.48 37.52 1.99 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 10.2 mttt -130.96 175.51 9.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.953 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -69.61 179.28 2.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.947 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -83.75 167.36 17.22 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.969 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.4 m -62.93 -36.6 83.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.952 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 20.3 mttt -58.15 161.29 4.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.046 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -86.71 -165.18 40.82 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.589 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.25 119.61 5.8 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.855 0.359 . . . . 0.0 111.114 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.686 HG23 ' H ' ' A' ' 95' ' ' GLU . 11.2 t -100.63 -160.53 0.8 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.591 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -54.2 -23.37 14.27 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.757 0.313 . . . . 0.0 111.162 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.686 ' H ' HG23 ' A' ' 93' ' ' THR . 0.6 OUTLIER -59.74 -29.34 68.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.968 179.905 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.67 -25.34 49.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.086 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 69.7 mt -54.92 -23.67 20.0 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.213 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 76.1 p -70.04 -49.47 50.88 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.957 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -63.46 -42.46 98.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.935 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 5.0 mt -59.35 -28.87 67.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.922 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.428 ' CZ ' ' HA ' ' A' ' 149' ' ' ASP . 86.7 t80 -61.19 -43.21 99.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.137 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -57.68 -45.66 85.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.964 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 3.4 mmm -53.69 -43.87 69.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.907 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.782 ' HB3' HD13 ' A' ' 112' ' ' ILE . 8.6 m-85 -67.85 -28.05 67.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.934 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -84.29 90.32 7.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.841 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.408 ' HB2' ' CG ' ' A' ' 116' ' ' GLU . 0.0 OUTLIER -56.28 -50.43 71.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.943 -179.826 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 36.4 p-10 -78.92 -27.71 43.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.059 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 65.62 63.74 0.6 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.119 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 29.8 p-10 -111.5 -20.91 12.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.124 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 124.55 0.66 8.53 Favored Glycine 0 CA--C 1.519 0.334 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.825 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.428 ' CD2' ' HB3' ' A' ' 149' ' ' ASP . 95.5 m-85 -154.4 160.45 41.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.804 0.335 . . . . 0.0 110.709 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.782 HD13 ' HB3' ' A' ' 104' ' ' PHE . 11.5 mt -128.02 151.66 35.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.175 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -132.89 173.37 11.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.833 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 1.1 mt -56.84 -29.52 62.92 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.074 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.422 ' O ' ' CG ' ' A' ' 118' ' ' LYS . 1.5 tt0 -71.22 -44.36 65.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.94 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.522 ' HA ' HD12 ' A' ' 119' ' ' ILE . 5.3 tt0 -74.1 -59.21 2.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.239 -179.603 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 53.2 tp -48.91 -30.63 6.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.769 -179.178 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.469 ' HA ' HD13 ' A' ' 133' ' ' ILE . 0.0 OUTLIER -71.73 -24.18 61.74 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.598 -0.273 . . . . 0.0 111.191 -179.601 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.522 HD12 ' HA ' ' A' ' 116' ' ' GLU . 33.9 mt -74.6 -45.24 45.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.825 0.345 . . . . 0.0 111.175 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 2.9 ttp -58.52 -32.7 69.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.977 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.594 HD22 HG12 ' A' ' 133' ' ' ILE . 0.2 OUTLIER -70.06 -19.43 63.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.215 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -64.98 -25.17 67.75 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.743 0.306 . . . . 0.0 110.837 179.747 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -55.97 -46.68 78.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.939 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 68.2 p -56.49 175.33 0.11 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.672 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -114.07 22.12 14.59 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.598 -0.811 . . . . 0.0 112.542 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -107.58 127.18 53.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.639 0.257 . . . . 0.0 110.845 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 46.0 p -65.19 99.87 0.41 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.069 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.519 HG22 ' N ' ' A' ' 129' ' ' THR . 35.5 mm -101.41 160.06 3.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.804 179.649 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . 0.519 ' N ' HG22 ' A' ' 128' ' ' ILE . 1.8 m -107.54 160.52 15.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.721 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.92 -29.53 68.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.004 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -77.76 -29.33 50.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.028 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -69.6 -38.94 77.51 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.98 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.594 HG12 HD22 ' A' ' 121' ' ' LEU . 39.3 mt -73.33 -8.62 11.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.655 -179.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -74.13 -29.66 61.92 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.713 0.292 . . . . 0.0 111.081 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -63.27 -37.64 88.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.971 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.54 -45.72 92.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.892 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . 0.582 ' HE3' HD12 ' A' ' 148' ' ' ILE . 0.0 OUTLIER -70.34 -31.3 68.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.92 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 2.8 mmmt -58.99 -75.76 0.05 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.119 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 28.9 p-10 -60.16 -20.09 56.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.511 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -79.25 -44.63 9.49 Favored Glycine 0 N--CA 1.453 -0.19 0 C-N-CA 120.564 -0.827 . . . . 0.0 112.403 179.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 36.5 t0 -65.54 104.89 1.08 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.762 0.315 . . . . 0.0 111.001 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 10.6 mmtp -98.49 -23.01 15.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.045 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 30.0 m120 -86.03 -13.42 47.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.117 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 68.07 37.78 2.88 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.861 0.363 . . . . 0.0 110.867 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 17.6 p-10 -112.74 15.54 19.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.195 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 61.29 30.72 74.8 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.57 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 83.7 mtt180 -157.14 178.2 10.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.873 0.368 . . . . 0.0 110.915 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . 0.582 HD12 ' HE3' ' A' ' 137' ' ' MET . 46.1 mt -131.83 158.33 43.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.95 179.804 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . 0.493 ' N ' HG22 ' A' ' 148' ' ' ILE . 2.3 p30 -154.86 167.34 30.59 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.995 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 150' ' ' TYR . . . . . 0.414 ' O ' HD23 ' A' ' 154' ' ' LEU . 78.4 t80 -56.36 -27.74 56.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.255 -179.785 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.94 -57.07 5.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.064 -179.829 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -80.09 -9.06 59.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.574 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -77.4 -37.71 51.36 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.777 0.322 . . . . 0.0 110.713 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.414 HD23 ' O ' ' A' ' 150' ' ' TYR . 3.5 mm? -67.7 -25.57 65.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.022 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -83.05 -33.28 26.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.864 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . 0.666 ' O ' HG22 ' A' ' 160' ' ' VAL . 26.6 t80 -76.36 -28.26 56.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.857 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.8 -2.63 58.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.387 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 2.4 tptm -90.57 49.77 1.72 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.844 0.354 . . . . 0.0 110.866 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 103.57 69.63 0.8 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.355 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . 0.666 HG22 ' O ' ' A' ' 156' ' ' PHE . 6.4 t -62.22 -61.52 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.854 0.359 . . . . 0.0 111.03 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 4.0 pm0 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.915 -179.943 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 162' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 163' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_